SCHEMBL22963859

SCHEMBL22963859

COc1ccccc1/C=C/c1cc2ccccc2c2c1sc1ccc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 4/20 0.43
▸ CYP1B1 Q16678 4/20 0.43
▸ CYP1A2 P05177 4/20 0.42
▸ NFE2L2 Q16236 5/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ CSK P41240 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL22963845 0.91 CYP1A2 (0.41) CYP1A1CYP1B1CYP1A2MEN1NPC1
SCHEMBL22963863 0.90 MAPT (0.40) CYP1A1CYP1B1CYP1A2NFE2L2MEN1
SCHEMBL22963846 0.76 NQO2 (0.39) CYP1A1CYP1B1CYP1A2RAB9AAHR
SCHEMBL21276100 0.76 POLB (0.41) CYP1A1CYP1B1CYP1A2MEN1KMT2A
SCHEMBL22963844 0.74 CETP (0.39) MEN1RAB9AKMT2AMAPTAHR
SCHEMBL22963865 0.73 MAPT (0.40) CYP1A2MEN1NPC1RAB9AKMT2A
SCHEMBL18810714 0.71 ALDH1A1 (0.42) CYP1B1CYP1A2RAB9AKMT2ALCK
SCHEMBL27324509 0.70 NQO2 (0.37) CYP1B1CYP1A2RAB9AMAPTKDM4E
SCHEMBL17382483 0.68 HSD17B10 (0.44) CYP1A1CYP1B1CYP1A2RAB9AAHR
SCHEMBL4019329 0.68 NFE2L2 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1

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-20210040061-A1 COMPOUND, POLYMER, AND ORGANIC MATERIAL SONY CORPORATION (JP) 2021-02-11 — — 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-20210040061-A1 COMPOUND, POLYMER, AND ORGANIC MATERIAL H1-0, H1-2, H1-10 CYP1A1 84/4885CYP1B1 78/4885CYP1A2 402/4885

“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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