SCHEMBL24925937

SCHEMBL24925937

Cc1cccc(C)c1Bc1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.41
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ GAA P10253 3/20 0.37
▸ MGAM O43451 2/20 0.37
▸ SI P14410 2/20 0.37
▸ MGAM2 Q2M2H8 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ RECQL P46063 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CYP3A4 P08684 2/20 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
SCHEMBL29016357 0.74 CYP1A2 (0.47) TRPA1ATMALDH1A1CYP1A2CYP3A4
SCHEMBL24926205 0.72 CA1 (0.44) ALDH1A1CYP1A2CYP2C19MAPTHSD17B10
Orthocresol SCHEMBL16002 0.69 — —
Orthocresol SCHEMBL10419161 0.69 TRPA1 (0.60) TRPA1ATMALDH1A1CYP1A2CYP2C19
Orthocresol SCHEMBL29395276 0.69 — —
Orthocresol SCHEMBL170162 0.69 TRPA1 (0.60) TRPA1ATMALDH1A1CYP1A2CYP2C19
Orthocresol SCHEMBL8710164 0.69 TRPA1 (0.60) TRPA1ATMALDH1A1CYP1A2CYP2C19
SCHEMBL24553843 0.69 CA2 (0.43) TRPA1ALDH1A1GAAMAPTHSD17B10
SCHEMBL14403784 0.67 — —
Pyrogallol SCHEMBL28914573 0.67 TRPA1 (0.75) TRPA1ATMALDH1A1CYP1A2CYP2C19

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-20230029347-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-01-26 — — 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-20230029347-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP TRPA1 266/4885ATM 4263/4885ALDH1A1 41/4885

“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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