SCHEMBL3604705

SCHEMBL3604705

CCCCCCCCCCCCCCc1nccnc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.43
HCAR2 Q8TDS4 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RARA P10276 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HCAR3 P49019 1/20 0.41
KAT8 Q9H7Z6 4/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
PPARA Q07869 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 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
SCHEMBL8624574 1.00 RARB (0.43) RARBHCAR2MEN1ALDH1A1RARA
SCHEMBL3916646 1.00 RARB (0.43) RARBHCAR2MEN1ALDH1A1RARA
SCHEMBL1082565 0.98 HCAR2 (0.41) RARBHCAR2MEN1ALDH1A1RARA
SCHEMBL23340379 0.93 GABRP (0.45) RARBHCAR2MEN1ALDH1A1MAPT
SCHEMBL3924183 0.86 KDM4E (0.41) RARBHCAR2MEN1MAPTKMT2A
SCHEMBL3614621 0.86 KDM4E (0.41) RARBHCAR2MEN1MAPTKMT2A
SCHEMBL9691428 0.85 KDM4E (0.38) HCAR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL9755023 0.84 KDM4E (0.39) HCAR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL22202360 0.84 KDM4E (0.39) RARBHCAR2ALDH1A1KDM4EHCAR3
SCHEMBL27818098 0.79 TDP1 (0.45) MEN1ALDH1A1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100221315-A1 VESICULAR FORMULATIONS CONTAINING ORGANIC ACID PRODRUGS, PROCESS FOR THEIR PREPARATION UNIVERSIDADE DE LISBOA (PT) 2010-09-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2034962-A2 VESICULAR FORMULATIONS CONTAINING ORGANIC ACID PRODRUGS AND PROCESS FOR THEIR PREPARATION. Universidade de Lisboa (PT) 2009-03-18 EP disclosed
WO-2007142548-A2 VESICULAR FORMULATIONS CONTAINING ORGANIC ACID PRODRUGS, PROCESS FOR THEIR PREPARATION UNIVERSIDADE DE LISBOA (PT) 2007-12-13 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R RARB 1390/4885HCAR2 109/4885MEN1 1746/4885

“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.