SCHEMBL15549843

SCHEMBL15549843

CC(C)(C(=O)O)C(c1ccccc1Nc1ccc2ccccc2c1)n1cncn1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 19/20 0.61
▸ CYP1A2 P05177 3/20 0.61
▸ CYP3A4 P08684 3/20 0.61
▸ CYP2D6 P10635 3/20 0.61
▸ CYP2C9 P11712 3/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ MAPT P10636 1/20 0.38

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
SCHEMBL15549845 0.84 CYP26A1 (0.69) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4280917 0.76 CYP26A1 (1.00) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4283358 0.70 CYP26A1 (1.00) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20067360 0.67 ALDH1A1 (0.53) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10144151 0.62 FABP4 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29688279 0.62 ALDH1A1 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1923372 0.62 ALDH1A1 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28146064 0.61 ALDH1A1 (0.80) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9054852 0.60 CYP26A1 (0.42) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5583199 0.60 RAB9A (0.53) CYP1A2CYP3A4CYP2C19MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160038490-A1 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2016-02-11 — — US claimed
WO-2014015137-A2 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2014-01-23 — — WO claimed

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-20160038490-A1 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES DUSP6, CYP26B1, CYP26A1 CYP26A1 3/4885CYP1A2 165/4885CYP3A4 458/4885

“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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