SCHEMBL12900105

SCHEMBL12900105

O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc3c(c2)CCO3)s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 3/20 0.55
▸ FABP4 P15090 3/20 0.55
▸ FABP5 Q01469 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PRSS12 P56730 5/20 0.47
▸ ESRRG P62508 3/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FTO Q9C0B1 1/20 0.43
▸ CHEK1 O14757 4/20 0.43
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ PLA2G10 O15496 1/20 0.42

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
SCHEMBL12900100 0.89 HDAC6 (0.55) FABP3FABP4FABP5NPSR1PRSS12
SCHEMBL12900103 0.84 FABP3 (0.53) FABP3FABP4FABP5NPSR1PRSS12
SCHEMBL7239351 0.78 PRSS12 (0.54) FABP3FABP4FABP5NPSR1PRSS12
SCHEMBL18573537 0.74 NPC1 (0.63) ESRRGTP53SMN1; SMN2
SCHEMBL14340824 0.73 HCAR2 (0.64) FABP3FABP4FABP5
SCHEMBL3091434 0.73 HDAC6 (0.74) FABP3FABP4PLA2G10
SCHEMBL12758441 0.73 KMT2A (0.60) NPSR1PRSS12TP53SMN1; SMN2
SCHEMBL23813 0.72 HSD17B1 (0.64) —
SCHEMBL12900106 0.72 HSD17B1 (0.52) NPSR1PRSS12ESRRGESR1TP53
SCHEMBL12900081 0.72 STIM1 (0.56) NPSR1PRSS12ESRRGESR1TP53

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-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2011-02-03 — — US disclosed
US-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2011-02-03 — — US disclosed
WO-2007035478-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-29 — — 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-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 FABP3 136/4885FABP4 282/4885FABP5 519/4885

“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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