SCHEMBL13342807

SCHEMBL13342807

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ARF6 P62330 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ SCN4A P35499 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39

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
SCHEMBL13342823 0.84 TAS1R3 (0.41) ALDH1A1GAA
SCHEMBL13342804 0.83 NPSR1 (0.50) MEN1KMT2AALDH1A1TSHRHTR2A
SCHEMBL13342793 0.81 TSHR (0.50) MEN1KMT2AALDH1A1TSHRHTR2A
SCHEMBL13342797 0.78 SCN4A (0.60) MEN1KMT2AALDH1A1TSHRHTR2A
SCHEMBL9114467 0.78 GSR (0.42) TSHRARF6LMNATDP1
SCHEMBL9114464 0.78 GSR (0.42) TSHRARF6LMNATDP1
SCHEMBL29678126 0.77 POLB (0.42) MEN1KMT2AALDH1A1GAAARF6
SCHEMBL13342775 0.77 CYP1A2 (0.55) MEN1KMT2AALDH1A1TSHRHTR2A
SCHEMBL13342780 0.76 TSHR (0.54) MEN1KMT2AALDH1A1TSHRHTR2A
SCHEMBL29126022 0.73 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ECYP1A2CYP2C9

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-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

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 MEN1 4814/4885KMT2A 1951/4885ALDH1A1 366/4885

“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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