SCHEMBL49732

SCHEMBL49732

O=C(O)c1[c]c2ccccc2cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
WDR5 P61964 1/20 0.38
LDHA P00338 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
ACMSD Q8TDX5 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C19 P33261 1/20 0.36
DAO P14920 2/20 0.36

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
SCHEMBL3898987 0.82 MEN1 (0.41) MGAMWDR5LDHAKDM4EACMSD
SCHEMBL1127740 0.82 ALDH1A1 (0.46) MGAMTSHRTDP1KMT2AMEN1
SCHEMBL1181527 0.82 PARP1 (0.41) MGAMKDM4ETSHRTDP1ALDH1A1
SCHEMBL758982 0.82 ALDH1A1 (0.38) MGAMKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8757247 0.78 RAB9A (0.47) KDM4ETSHRKMT2AMEN1ALDH1A1
SCHEMBL3251538 0.78 IDO1 (0.43) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL2167038 0.77 TSHR (0.42) KDM4ETSHRKMT2AMEN1ALDH1A1
SCHEMBL12984354 0.77 SMN1; SMN2 (0.38) MGAMKDM4EKMT2AMEN1ALDH1A1
SCHEMBL27719957 0.76 KDM4E (0.42) KDM4ETSHRTDP1KMT2AMEN1
SCHEMBL9658676 0.76 ELANE (0.37) KDM4EALDH1A1CYP1A2SMN1; SMN2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101925658-B Anthrapyridone compound or salt thereof, magenta ink composition containing anthrapyridone compound, and colored body NIPPON KAYAKU KK 2013-10-02 CN claimed
US-8426115-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-23 US claimed
US-20110033803-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US claimed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US claimed
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP claimed
EP-0799281-B2 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORP (US) 2006-03-29 EP claimed
US-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 US claimed
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO claimed
US-6969703-B2 Inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-11-29 US claimed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 WO claimed
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US claimed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO claimed
US-6042643-A AS PIGMENT TO COLOR PLASTICS, PAPER, TEXTILE, RUBBER, AQUEOUS INKS CABOT CORPORATION (US) 2000-03-28 US claimed
US-5900029-A COLORING FIBER OR TEXTILE CABOT CORPORATION (US) 1999-05-04 US claimed
EP-0799281-A1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORPORATION (US) 1997-10-08 EP claimed
WO-1996018688-A1 CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS CABOT CORPORATION (US) 1996-06-20 WO claimed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP claimed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO claimed
US-4444875-A LAYER OF A TETRAZOLIUM COMPOUND KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-04-24 US claimed
US-4052433-A INTERMEDIATES FOR BENZOFURANS HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease PSEN1, PSEN2, APP MGAM 3632/4885WDR5 3285/4885LDHA 4271/4885
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity DDT, CYP1B1, CYP51A1 MGAM 198/4885WDR5 1423/4885LDHA 1317/4885

“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.