SCHEMBL13562148

SCHEMBL13562148

c1ccc(-c2ccc3c(ccc4c3ccc3sc5ccccc5c34)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.42
▸ ESR1 P03372 3/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ GPR3 P46089 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL22880101 0.86 L3MBTL1 (0.41) F9ESR1ESR2ALDH1A1PIK3CA
SCHEMBL19109204 0.86 F9 (0.39) F9ESR1ESR2GPR3CYP1A2
SCHEMBL25879447 0.86 F9 (0.39) F9ESR1ESR2GPR3CYP1A2
SCHEMBL25879381 0.85 F9 (0.38) F9ESR1ESR2GPR3CYP1A2
SCHEMBL25880059 0.85 F9 (0.38) F9ESR1ESR2GPR3CYP1A2
SCHEMBL22880060 0.84 F9 (0.37) F9ESR1ESR2GPR3CYP1A2
SCHEMBL24275133 0.84 F9 (0.35) F9ESR1ESR2GPR3CYP1A2
SCHEMBL22880528 0.84 F9 (0.37) F9ESR1ESR2CYP1A2GPR84
SCHEMBL24275025 0.83 L3MBTL1 (0.39) F9CYP1A2ERBB2FYNMAOA
SCHEMBL13507619 0.83 ESR1 (0.43) F9ESR1ESR2CYP1A2ALDH1A1

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-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 — — US disclosed
US-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 — — US disclosed
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
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 F9 1681/4885ESR1 745/4885ESR2 1998/4885

“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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