SCHEMBL23016555

SCHEMBL23016555

OC(O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.72
▸ TAAR1 Q96RJ0 4/20 0.69
▸ SLC6A4 P31645 3/20 0.69
▸ SLC6A2 P23975 2/20 0.69
▸ SLC6A3 Q01959 2/20 0.69
▸ CYP2D6 P10635 2/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CYP1A2 P05177 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ATM Q13315 1/20 0.52
▸ CALM1 P0DP23 1/20 0.51

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
SCHEMBL4168491 0.85 TAAR1 (0.70) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL30147114 0.85 TAAR1 (0.70) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL8515123 0.85 SLC6A4 (0.74) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL4168488 0.85 TAAR1 (0.70) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL4170645 0.85 TAAR1 (0.70) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
Safrolglycol SCHEMBL11447270 0.84 CYP3A4 (1.00) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
Safrolglycol SCHEMBL29368350 0.84 CYP3A4 (1.00) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
Safrolglycol SCHEMBL7510518 0.84 CYP3A4 (1.00) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL25190612 0.82 CYP3A4 (0.73) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL19342841 0.82 TAAR1 (0.66) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3

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-10927124-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-02-23 — — 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-10927124-B2 Compounds and compositions and uses thereof CHAT, ACHE, MAOB CYP3A4 580/4885TAAR1 893/4885SLC6A4 204/4885

“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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