SCHEMBL13342804

SCHEMBL13342804

Cc1cc(Cl)ccc1OC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SCN4A P35499 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL13342807 0.83 MEN1 (0.45) NPSR1TSHRHTR2AHTR2CHTR2B
SCHEMBL13342793 0.82 TSHR (0.50) NPSR1TSHRHTR2AHTR2CHTR2B
SCHEMBL13342797 0.82 SCN4A (0.60) TSHRHTR2AHTR2CHTR2BTP53
SCHEMBL27866069 0.79 NPSR1 (0.53) NPSR1TSHRHTR2AHTR2CHTR2B
SCHEMBL13342780 0.77 TSHR (0.54) NPSR1TSHRHTR2AHTR2CHTR2B
Metaxon SCHEMBL16041675 0.76 TDP1 (0.60) NPSR1TSHRHTR2AHTR2CHTR2B
SCHEMBL27339694 0.76 TSHR (0.56) NPSR1TSHRHTR2AHTR2CHTR2B
SCHEMBL27511047 0.75 LMNA (0.53) NPSR1TSHRHTR2AHTR2CHTR2B
SCHEMBL13342775 0.75 CYP1A2 (0.55) NPSR1TSHRHTR2AHTR2CHTR2B
SCHEMBL29213715 0.74 TSHR (0.54) NPSR1TSHRHTR2AHTR2CHTR2B

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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — 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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 NPSR1 1440/4885TSHR 3471/4885HTR2A 1522/4885

“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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