SCHEMBL31739258

SCHEMBL31739258

COc1cccc(Cc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.67
▸ MAOB P27338 1/20 0.61
▸ CHRM2 P08172 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ CHRM3 P20309 1/20 0.59
▸ SIGMAR1 Q99720 1/20 0.59
▸ TAAR1 Q96RJ0 3/20 0.58
▸ IDO1 P14902 2/20 0.58
▸ AGXT P21549 2/20 0.58
▸ LTB4R Q15722 1/20 0.56
▸ MTNR1A P48039 1/20 0.54
▸ MTNR1B P49286 1/20 0.54
▸ CMA1 P23946 1/20 0.53
▸ CALM1 P0DP23 1/20 0.53
▸ CAMKK2 Q96RR4 1/20 0.53
▸ HTR1B P28222 1/20 0.53

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
SCHEMBL2092574 1.00 LTA4H (0.67) LTA4HMAOBCHRM2CHRM1CHRM3
SCHEMBL2099512 0.94 CHRM2 (0.66) LTA4HMAOBCHRM2CHRM1CHRM3
SCHEMBL14191204 0.90 LTA4H (0.70) LTA4HMAOBCHRM2CHRM1CHRM3
SCHEMBL27651325 0.88 LTA4H (0.53) LTA4HMAOBCHRM2CHRM1CHRM3
SCHEMBL13880096 0.86 MAOB (0.62) LTA4HMAOBCHRM2CHRM1CHRM3
SCHEMBL8093299 0.86 MTNR1A (0.57) LTA4HMAOBCHRM2CHRM1CHRM3
SCHEMBL11810459 0.85 LTA4H (0.69) LTA4HMAOBCHRM2CHRM1CHRM3
SCHEMBL8993038 0.85 MTNR1A (0.56) LTA4HMAOBCHRM2CHRM1CHRM3
SCHEMBL1501195 0.85 LMNA (0.58) LTA4HCHRM2CHRM1CHRM3TAAR1
SCHEMBL8992966 0.85 LTA4H (0.53) LTA4HMAOBCHRM2CHRM1CHRM3

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-20250367649-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV (CA) 2025-12-04 — — 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-20250367649-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF PPOX, AOX1, CYP3A7 LTA4H 1884/4885MAOB 138/4885CHRM2 1647/4885

“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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