SCHEMBL16057165

SCHEMBL16057165

O=C(O)n1cccc(Cc2ccc3c(c2)OCO3)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ EDNRB P24530 1/20 0.44
▸ HPGD P15428 4/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ VKORC1 Q9BQB6 1/20 0.43

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
SCHEMBL17557049 0.75 POLB (0.44) ALDH1A1CYP2C19KMT2AMEN1HPGD
SCHEMBL14975252 0.75 LIPG (0.44) FAAH
SCHEMBL28888875 0.71 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL2621633 0.71 MAPT (0.62) ALDH1A1KMT2ACMA1EDNRBHPGD
SCHEMBL6094151 0.70 KMT2A (0.50) ALDH1A1CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL7391673 0.70 NPC1 (0.52) ALDH1A1CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL21154355 0.70 CALM1 (0.54) ALDH1A1CYP3A4KMT2AMEN1HPGD
SCHEMBL7651963 0.70 PTGER3 (0.66) ALDH1A1CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL27969721 0.70 MEN1 (0.50) ALDH1A1CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL109195 0.70 TAAR1 (0.64) ALDH1A1CYP3A4CYP1A2CYP2C19CMA1

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 ALDH1A1 1195/4885CYP3A4 1429/4885CYP1A2 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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