SCHEMBL3872175

SCHEMBL3872175

CCCCCc1ccc(OC)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.62
PPARA Q07869 1/20 0.62
ATM Q13315 2/20 0.61
KDM4E B2RXH2 1/20 0.61
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
LTA4H P09960 1/20 0.57
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56

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
SCHEMBL10774024 0.98 PPARG (0.65) PPARGPPARAATMKDM4ECA2
SCHEMBL10771261 0.98 PPARG (0.65) PPARGPPARAATMKDM4ECA2
SCHEMBL10773021 0.98 PPARG (0.65) PPARGPPARAATMKDM4ECA2
SCHEMBL2759507 0.94 ATM (0.63) PPARGPPARAATMKDM4ECA2
SCHEMBL30869991 0.92 ATM (0.70) PPARGPPARAATMKDM4ECA2
SCHEMBL10343404 0.92 ATM (0.70) PPARGPPARAATMKDM4ECA2
SCHEMBL23913120 0.90 ATM (0.68) PPARGPPARAATMKDM4ECA2
SCHEMBL31556187 0.90 ATM (0.68) PPARGPPARAATMKDM4ECA2
SCHEMBL31556190 0.90 ATM (0.68) PPARGPPARAATMKDM4ECA2
SCHEMBL9547930 0.87 CYP19A1 (0.61) ATMKDM4ECA2POLBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102718785-A Method for preparing aromatic ring boric acid ZHEJIANG CHEMPACIFIC CHEMICAL CO LTD 2012-10-10 CN claimed
JP-3124710-A None JP disclosed
US-20200308195-A1 DIAZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-10-01 US disclosed
WO-2020118478-A1 POLYCARBONATE COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2020-06-18 WO disclosed
US-20190023694-A1 BROAD SPECTRUM ANTIBACTERIAL ACTIVITY OF NOVEL BISBENZIMIDAZOLES TARGETING TOPOISOMERASE IA AND THE SYNERGISTIC COMPOSITION OF BISBENZIMIDAZOLE WITH EFFLUX PUMP INHIBITORS AGAINST PATHOGENIC BACTERIA TANDON, VIBHA (IN) 2019-01-24 US disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
WO-2015113990-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
CN-103058828-A Synthetic method of 3,5-dyhydroxy alkylbenzene protected through alkyl group UNIV ZHEJIANG TECHNOLOGY 2013-04-24 CN disclosed
US-20130040937-A1 INHIBITORS FOR TREATING AND PREVENTING HEART FAILURE IN FELINES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2013-02-14 US disclosed
CN-102718785-A Method for preparing aromatic ring boric acid ZHEJIANG CHEMPACIFIC CHEMICAL CO LTD 2012-10-10 CN disclosed
CN-1925854-A Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-03-07 CN disclosed
US-20060234053-A1 MICROCAPSULE, METHOD OF MANUFACTURING MICROCAPSULE, ELECTROPHORETIC DEVICE, AND ELECTRIC APPARATUS SEIKO EPSON CORPORATION (JP) 2006-10-19 US disclosed
EP-1012376-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS Blume, Hildegard (DE) 2000-06-28 EP disclosed
WO-1998059108-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS BLUME, HILDEGARD (DE) 1998-12-30 WO disclosed
US-5214034-A Improved secretion of nerve growth factor MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-05-25 US disclosed
US-5102906-A Alzheimer*s disease MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-04-07 US disclosed
EP-0261977-B1 CATECHOL DERIVATIVES, AND PREVENTIVE AND REMEDIAL PREPARATIONS FOR REGRESSIVE DISORDERS IN THE CENTRAL NERVOUS SYSTEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-04 EP disclosed
JP-H03124710-A PRODUCTION OF POLYETHYLENE COPOLYMER IDEMITSU PETROCHEM CO LTD 1991-05-28 JP disclosed
US-4985458-A TREATMENT OF ALZHEIMER*S DISEASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-15 US disclosed
EP-0261977-A2 Catechol derivatives, and preventive and remedial preparations for regressive disorders in the central nervous system MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-30 EP 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 (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-20200308195-A1 DIAZAINDOLE COMPOUNDS TLR7, TLR9, TLR1 PPARG 301/4885PPARA 468/4885ATM 1231/4885
US-20190023694-A1 BROAD SPECTRUM ANTIBACTERIAL ACTIVITY OF NOVEL BISBENZIMIDAZOLES TARGETING TOPOISOMERASE IA AND THE SYNERGISTIC COMPOSITION OF BISBENZIMIDAZOLE WITH EFFLUX PUMP INHIBITORS AGAINST PATHOGENIC BACTERIA TOP2B, TOP2A, TOP1 PPARG 3148/4885PPARA 3929/4885ATM 2290/4885

“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.