SCHEMBL13954049

SCHEMBL13954049

CCCCOC(=O)c1ccccc1NC(=O)CC(O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TSHR P16473 6/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TP53 P04637 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
SCHEMBL13933867 0.84 ALDH1A1 (0.48) SMN1; SMN2CYP2C19TSHRTDP1ALDH1A1
SCHEMBL13954050 0.83 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL14472724 0.82 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL14349712 0.81 KMT2A (0.60) SMN1; SMN2KDM4ELMNAKMT2AMEN1
SCHEMBL13954051 0.80 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL6784915 0.75 KMT2A (0.57) TSHRL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL7626936 0.74 ALDH1A1 (0.63) SMN1; SMN2CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL7635559 0.74 ALDH1A1 (0.63) SMN1; SMN2CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL7626813 0.74 ALDH1A1 (0.63) SMN1; SMN2CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL7630856 0.74 ALDH1A1 (0.63) SMN1; SMN2CYP1A2CYP2C19TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 — — 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-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 SMN1; SMN2 4003/4885CYP1A2 586/4885CYP2C19 618/4885

“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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