SCHEMBL251300

SCHEMBL251300

CCOc1cccc(CC(=O)O)c1OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 1/20 0.58
▸ FABP5 Q01469 1/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ GLA P06280 1/20 0.53
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ THRB P10828 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CXCL8 P10145 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ AKR1B1 P15121 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
SCHEMBL29097497 0.87 L3MBTL1 (0.51) FABP4FABP5L3MBTL1GLANPC1
SCHEMBL14764226 0.85 THRB (0.46) FABP4FABP5L3MBTL1GLAKMT2A
SCHEMBL245623 0.84 MRGPRX4 (0.48) FABP4FABP5L3MBTL1GLANPC1
SCHEMBL1628791 0.84 L3MBTL1 (0.62) FABP4FABP5L3MBTL1GLAMAPT
SCHEMBL5120093 0.83 L3MBTL1 (0.53) FABP4FABP5L3MBTL1GLAKMT2A
Hydrochloric Acid SCHEMBL2525349 0.83 L3MBTL1 (0.61) L3MBTL1GLAMAPTNPSR1KDM4E
SCHEMBL2524621 0.82 L3MBTL1 (0.58) L3MBTL1GLANPC1RAB9ASMN1; SMN2
SCHEMBL3236664 0.82 CXCL8 (0.50) FABP4FABP5L3MBTL1GLATHRB
SCHEMBL7752635 0.81 FABP4 (0.60) FABP4FABP5L3MBTL1GLASMN1; SMN2
SCHEMBL7796121 0.80 NR1H4 (0.44) FABP4FABP5L3MBTL1GLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 — — US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 — — 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C FABP4 3454/4885FABP5 1519/4885L3MBTL1 3491/4885

“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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