SCHEMBL178400

SCHEMBL178400

COc1ccc(CCC(C)C)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.67
ATM Q13315 2/20 0.61
KDM4E B2RXH2 1/20 0.61
AOC3 Q16853 1/20 0.59
CA2 P00918 1/20 0.59
POLB P06746 1/20 0.58
CYP19A1 P11511 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
MAPT P10636 1/20 0.51
ABCB1 P08183 1/20 0.51
ALDH1A1 P00352 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
HSP90AA1 P07900 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8294099 0.88 CALM1 (0.55) STAT3ATMKDM4EAOC3POLB
SCHEMBL8294364 0.88 CALM1 (0.63) STAT3ATMKDM4EAOC3CA2
SCHEMBL10776243 0.86 STAT3 (0.55) STAT3ATMKDM4EAOC3CA2
SCHEMBL27817906 0.85 STAT3 (0.63) STAT3ATMKDM4EAOC3CA2
SCHEMBL15236787 0.85 STAT3 (0.73) STAT3ATMKDM4EAOC3CA2
SCHEMBL265633 0.85 STAT3 (0.63) STAT3ATMKDM4EAOC3CA2
SCHEMBL5145815 0.85 STAT3 (0.50) STAT3ATMKDM4EAOC3POLB
SCHEMBL103861 0.85 STAT3 (0.50) STAT3ATMKDM4EAOC3CA2
SCHEMBL16047309 0.84 STAT3 (0.49) STAT3ATMKDM4EMAPTALDH1A1
SCHEMBL8294098 0.84 SIGMAR1 (0.52) STAT3ATMKDM4EAOC3MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20220040331-A1 COMPOSITIONS AND METHODS FOR TRANSFECTING CELLS AMRYT RESEARCH LIMITED (IE) 2022-02-10 US disclosed
US-11241436-B2 Autophagy inducers for treatment of CNS conditions NORTHWESTERN UNIVERSITY (US) 2022-02-08 US disclosed
US-20210186972-A1 FORMULATIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US disclosed
US-11041069-B2 Gene delivery carrier MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-22 US disclosed
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 2020-07-23 US disclosed
US-20190194444-A1 GENE DELIVERY CARRIER POLITECNICO DI MILANO (IT) 2019-06-27 US disclosed
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed
US-20130040937-A1 INHIBITORS FOR TREATING AND PREVENTING HEART FAILURE IN FELINES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2013-02-14 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7514570-B2 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (GnRH) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-7491731-B2 Crystal structure of liganded cFMS kinase domain SMITHKLINE BEECHAM CORPORATION (US) 2009-02-17 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
US-20070010540-A1 Crystal structure of liganded cFMS kinase domain SHEWCHUK LISA M 2007-01-11 US disclosed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 STAT3 2218/4885ATM 1473/4885KDM4E 2800/4885
US-20190194444-A1 GENE DELIVERY CARRIER PAICS, PBDC1, BCAT1 STAT3 944/4885ATM 3091/4885KDM4E 2342/4885
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL STAT3 1475/4885ATM 2331/4885KDM4E 956/4885
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET STAT3 318/4885ATM 1274/4885KDM4E 1965/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL STAT3 1475/4885ATM 2331/4885KDM4E 956/4885
US-20210186972-A1 FORMULATIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS FOXK1, FOXO1, FOXO3 STAT3 47/4885ATM 3179/4885KDM4E 3297/4885
US-20070010540-A1 Crystal structure of liganded cFMS kinase domain FAM20C, FRS2, FRK STAT3 1149/4885ATM 347/4885KDM4E 4461/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 STAT3 28/4885ATM 284/4885KDM4E 3392/4885
US-11041069-B2 Gene delivery carrier PAICS, PBDC1, BCAT1 STAT3 944/4885ATM 3091/4885KDM4E 2342/4885
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof SALL4, GLI2, TCF4 STAT3 24/4885ATM 2363/4885KDM4E 1267/4885
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF SALL4, GLI2, TCF4 STAT3 24/4885ATM 2363/4885KDM4E 1267/4885
US-11241436-B2 Autophagy inducers for treatment of CNS conditions SQSTM1, ATG7, BECN1 STAT3 1380/4885ATM 1326/4885KDM4E 3278/4885
US-20220040331-A1 COMPOSITIONS AND METHODS FOR TRANSFECTING CELLS TK1, XPA, RNASE1 STAT3 693/4885ATM 1702/4885KDM4E 4861/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.