SCHEMBL13563073

SCHEMBL13563073

c1ccc(-c2ccc3c(c2)sc2c3ccc3c4ccccc4ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 4/20 0.48
▸ CYP1A1 P04798 3/20 0.48
▸ LIMK1 P53667 3/20 0.47
▸ HPRT1 P00492 3/20 0.45
▸ MCL1 Q07820 1/20 0.41
▸ F9 P00740 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ TNKS O95271 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ ESR1 P03372 1/20 0.36

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
SCHEMBL17356224 0.90 CYP1B1 (0.49) CYP1B1CYP1A1LIMK1HPRT1MCL1
SCHEMBL17945326 0.89 CYP1A1 (0.48) CYP1B1CYP1A1LIMK1MCL1F9
SCHEMBL13563067 0.89 HPRT1 (0.41) CYP1B1CYP1A1LIMK1HPRT1MCL1
SCHEMBL25460532 0.88 CYP1A1 (0.47) CYP1B1CYP1A1LIMK1MCL1F9
SCHEMBL22031877 0.88 LIMK1 (0.55) LIMK1F9PIK3CAPI4KAPI4KB
SCHEMBL13562212 0.87 TNKS (0.43) CYP1B1CYP1A1LIMK1HPRT1F9
SCHEMBL17247186 0.87 CYP1A1 (0.49) CYP1B1CYP1A1LIMK1MCL1F9
SCHEMBL19082240 0.87 CYP1A1 (0.46) CYP1B1CYP1A1LIMK1MCL1F9
SCHEMBL24889815 0.87 CYP1A1 (0.46) CYP1B1CYP1A1LIMK1MCL1F9
SCHEMBL17247203 0.87 CYP1A1 (0.49) CYP1B1CYP1A1LIMK1MCL1F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — 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 (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-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, TPR, H1-4 CYP1B1 249/4885CYP1A1 80/4885LIMK1 2149/4885

“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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