SCHEMBL508950

SCHEMBL508950

CCc1cc(C)cc(CC)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TPMT P51580 1/20 0.37
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
MAPK10 P53779 1/20 0.35
NCOA2 Q15596 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AMY1A P0DUB6 1/20 0.33
HSPA5 P11021 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1225042 0.89 KMT2A (0.37) ALDH1A1HPGDKDM4ETPMTALOX15
SCHEMBL12622553 0.84 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10TPMT
SCHEMBL14400623 0.82 KDM4E (0.43) ALDH1A1KDM4ETPMTHCAR1GABRA1
SCHEMBL14400612 0.82 HSP90AB1 (0.40) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL3025730 0.81 DHFR (0.36) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL14993039 0.81 ALDH1A1 (0.33) ALDH1A1HPGDKDM4ETPMTALOX15
SCHEMBL17029861 0.80 PDE4A (0.37) ALDH1A1HPGDKDM4EHSD17B10TPMT
SCHEMBL508967 0.80 HSPA5 (0.39) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL1224619 0.79 ACVRL1 (0.33) KDM4EALOX12MAPK1SMN1; SMN2HIF1A
SCHEMBL15080879 0.76 SHBG (0.45) ALDH1A1HPGDKDM4EHSD17B10ALOX15

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334175-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES BAYER IP GMBH (DE) 2017-03-01 EP disclosed
EP-2334175-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES BAYER IP GMBH (DE) 2017-03-01 EP disclosed
CN-102264226-B Bicyclooctane-1, the 3-derovatives of phenyl-replacement BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-16 CN disclosed
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8367873-B2 Phenyl-substituted bicyclooctane-1,3-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-02-05 US disclosed
US-8367873-B2 Phenyl-substituted bicyclooctane-1,3-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-02-05 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
CN-102264226-A Phenyl-substituted bicyclooctane-1,3-dione derivatives 2011-11-30 CN disclosed
EP-2334175-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-22 EP disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO disclosed
WO-2010040460-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-15 WO disclosed
WO-2010040460-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-15 WO 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-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives DDT, PIP5K1B, PIP5K1C ALDH1A1 2618/4885HPGD 4004/4885KDM4E 1388/4885
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 ALDH1A1 1534/4885HPGD 1848/4885KDM4E 3295/4885

“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.