SCHEMBL14349704

SCHEMBL14349704

COc1ccc2cc(CCC(C)CC(=O)Nc3ccccc3C(=O)O)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 9/20 0.74
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TRPA1 O75762 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAOA P21397 1/20 0.44

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
SCHEMBL14349707 0.89 HCAR2 (0.70) HCAR2MEN1KMT2ACASP3SENP8
SCHEMBL14349717 0.85 HCAR2 (1.00) HCAR2MEN1KMT2ACASP3SENP8
SCHEMBL14349708 0.82 HCAR2 (0.85) HCAR2MEN1KMT2ACASP3SENP8
SCHEMBL14349697 0.82 HCAR2 (0.64) HCAR2MEN1KMT2ACASP3SENP8
SCHEMBL14349798 0.79 AKR1C3 (0.60) HCAR2SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL14349702 0.76 HCAR2 (0.66) HCAR2MEN1KMT2ACASP3SENP8
SCHEMBL29828503 0.76 GAA (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL30805751 0.76 GAA (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL11045973 0.74 HCAR2 (0.68) HCAR2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27549736 0.74 HCAR2 (0.80) HCAR2SMN1; SMN2ALDH1A1RAB9AKDM4E

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-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 — — US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 — — 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-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 HCAR2 20/4885MEN1 3094/4885KMT2A 4056/4885

“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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