SCHEMBL509831

SCHEMBL509831

CCc1cc(C)cc(CC)c1CCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PON1 P27169 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
MAPK10 P53779 1/20 0.32
NCOA2 Q15596 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NOS3 P29474 2/20 0.31
NOS2 P35228 2/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
NOS1 P29475 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30

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
SCHEMBL1225503 0.89 KDM4E (0.40) KMT2AMAPK1KDM4EPON1RAB9A
SCHEMBL3025730 0.81 DHFR (0.36) KMT2AMAPK1KDM4EALDH1A1GAA
SCHEMBL509442 0.80 HSPA5 (0.35) KMT2AGAAGRIN2DGRIN3BGRIN1
SCHEMBL18966864 0.75 KMT2A (0.40) KMT2AKDM4EALDH1A1NOS3NOS2
SCHEMBL1224583 0.75 KMT2A (0.32) KMT2AMAPK1ALDH1A1GAAHPGD
SCHEMBL27057362 0.75 KMT2A (0.32) KMT2AMAPK1ALDH1A1GAAHPGD
SCHEMBL508950 0.75 ALDH1A1 (0.38) KMT2AMAPK1KDM4EALDH1A1GAA
SCHEMBL28343893 0.75 KDM4E (0.33) KMT2AKDM4E
SCHEMBL811989 0.74 SIGMAR1 (0.38) KMT2AMAPK1RAB9AALDH1A1GAA
SCHEMBL6915173 0.73 SMN1; SMN2 (0.30)

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
CN-109096106-A A kind of preparation method of pinoxaden key intermediate 南京齐正化学有限公司 2018-12-28 CN claimed
CN-109096106-A A kind of preparation method of pinoxaden key intermediate 南京齐正化学有限公司 2018-12-28 CN disclosed
CN-109096106-A A kind of preparation method of pinoxaden key intermediate 南京齐正化学有限公司 2018-12-28 CN 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
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

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 KMT2A 2664/4885MAPK1 330/4885KDM4E 1388/4885
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 KMT2A 4005/4885MAPK1 714/4885KDM4E 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.