SCHEMBL15028567

SCHEMBL15028567

COc1cccc(/C=C/C=O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.46
ERN1 O75460 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
NFE2L2 Q16236 7/20 0.45
TFEB P19484 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TRPA1 O75762 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL15012751 1.00 TLR2 (0.46) TLR2ERN1TLR1TLR6CDK4
SCHEMBL43264 0.83 NFE2L2 (0.61) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL228813 0.83 NFE2L2 (0.61) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL9900345 0.83 NFE2L2 (0.61) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL31004887 0.83 NFE2L2 (0.61) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL29393422 0.83 NFE2L2 (0.61) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL18570324 0.82 CDK4 (0.50) TLR2ERN1TLR1TLR6CDK4
SCHEMBL63899 0.82 ERN1 (0.61) TLR2ERN1TLR1TLR6NFE2L2
SCHEMBL2119793 0.81 NFE2L2 (0.63) NFE2L2KDM4ECYP1A2CYP2D6MAPT
SCHEMBL8494360 0.81 NFE2L2 (0.63) NFE2L2KDM4ECYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
WO-2013083568-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAID 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, AND USE THEREOF TO PRODUCE DRUGS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 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 (1 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-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments CYP19A1, SHBG, ESR2 TLR2 3283/4885ERN1 2313/4885TLR1 2005/4885

“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.