SCHEMBL18069744

SCHEMBL18069744

CC12CC3CC(C1)CC(NC(=O)OCc1ccccc1)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.49
▸ EPHX2 P34913 5/20 0.48
▸ FAAH O00519 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ FKBP1A P62942 2/20 0.47
▸ CYP3A4 P08684 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ DPP8 Q6V1X1 2/20 0.45
▸ DPP9 Q86TI2 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL16665110 0.91 EPHX2 (0.53) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL21310438 0.86 EPHX2 (0.49) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL13878591 0.84 EPHX2 (0.47) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL26661411 0.82 EPHX2 (0.44) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL13878524 0.82 KMT2A (0.46) EPHX2FAAHCNR2CNR1FKBP1A
SCHEMBL29120513 0.81 EPHX2 (0.43) TSHREPHX2FAAHCNR2CNR1
SCHEMBL28141039 0.78 ALDH1A1 (0.49) TSHREPHX2FAAHCNR2CNR1
SCHEMBL13733943 0.78 EPHX2 (0.50) TSHREPHX2FAAHCNR2CNR1
SCHEMBL1073539 0.78 CYP3A4 (0.46) TSHRCYP3A4ALDH1A1SMN1; SMN2CASP1
SCHEMBL29120555 0.77 EPHX2 (0.53) EPHX2FAAHCNR2CNR1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 — — US 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-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 TSHR 3179/4885EPHX2 1377/4885FAAH 2108/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 TSHR 3438/4885EPHX2 3406/4885FAAH 1354/4885

“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.

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