SCHEMBL12796863

SCHEMBL12796863

Cc1ccc2c(ccc3c4cc5c(cc4sc23)sc2c3ccc(C)cc3ccc52)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 6/20 0.43
▸ CYP1A2 P05177 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL12796860 0.95 LMNA (0.40) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL13556951 0.94 CYP2A6 (0.44) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL13556944 0.91 CYP2A6 (0.45) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL12433610 0.91 CYP1A2 (0.44) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL13556945 0.86 CYP2A6 (0.41) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL12795712 0.86 CYP2A6 (0.42) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL18405845 0.86 CYP1A2 (0.52) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL17356254 0.86 LMNA (0.41) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL12797479 0.84 LMNA (0.42) CYP2A6CYP1A2LMNAGAAALDH1A1
SCHEMBL12269040 0.83 LMNA (0.40) CYP2A6CYP1A2LMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483367-B1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES LOMOX LTD (GB) 2015-09-16 — — EP disclosed
US-9006435-B2 Electroluminescent thiophene derivatives LOMOX LIMITED (GB) 2015-04-14 — — US disclosed
US-9006435-B2 Electroluminescent thiophene derivatives LOMOX LIMITED (GB) 2015-04-14 — — US disclosed
US-20120271052-A1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES LOMOX LIMITED (GB) 2012-10-25 — — US disclosed
US-20120271052-A1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES LOMOX LIMITED (GB) 2012-10-25 — — US disclosed
WO-2011039505-A1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES LOMOX LIMITED (GB) 2011-04-07 — — 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-20120271052-A1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES AR, NR2E3, NES CYP2A6 2867/4885CYP1A2 3437/4885LMNA 343/4885

“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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