SCHEMBL16057776

SCHEMBL16057776

CCCCOc1ccc(-c2ccn(C(=O)O)c(=O)c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.46
▸ CYP19A1 P11511 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ PLA2G4B P0C869 2/20 0.42
▸ GPR84 Q9NQS5 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40

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
SCHEMBL16057334 0.95 L3MBTL1 (0.42) RARBKDM4ENPC1RAB9ATSHR
SCHEMBL16057309 0.80 MCL1 (0.40) RARBKDM4ENPC1ALDH1A1RAB9A
SCHEMBL14975270 0.78 KDM4E (0.39) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL16058367 0.72 DHODH (0.43) NPC1ALDH1A1RAB9APTPN1PPARG
SCHEMBL16058477 0.71 PGR (0.43) SMN1; SMN2TSHRPPARGPPARA
SCHEMBL14977412 0.69 CYP3A4 (0.43) CYP3A4CYP2C9KDM4ESMN1; SMN2S1PR1
SCHEMBL16057745 0.69 CYP2D6 (0.49) RARBCYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL16056811 0.68 HPGD (0.50) NPC1ALDH1A1RAB9ATSHR
SCHEMBL18682514 0.67 CYP3A4 (0.66) RARBCYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL2745035 0.67 RARB (0.68) RARBTP53TSHRPTPN11PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 — — US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 — — US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 — — WO 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 RARB 3069/4885CYP19A1 1059/4885CYP1A2 930/4885

“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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