SCHEMBL6693789

SCHEMBL6693789

COC(=O)[C@H](C)SCC#CCOCCc1nc(-c2ccc(C)cc2)oc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
PPARG P37231 6/20 0.43
PPARA Q07869 5/20 0.43
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 4/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.41
MAPT P10636 2/20 0.41
TARBP2 Q15633 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL6693786 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PPARGPPARARXFP1TP53
SCHEMBL5367523 0.93 TARBP2 (0.46) SMN1; SMN2PPARGPPARARXFP1PPARD
SCHEMBL5367528 0.93 TARBP2 (0.46) SMN1; SMN2PPARGPPARARXFP1PPARD
SCHEMBL6695063 0.90 PPARA (0.46) SMN1; SMN2PPARGPPARAPPARDALDH1A1
SCHEMBL6703305 0.90 PPARA (0.45) SMN1; SMN2PPARGPPARAPPARDALDH1A1
SCHEMBL6703298 0.90 PPARA (0.45) SMN1; SMN2PPARGPPARAPPARDALDH1A1
SCHEMBL6703301 0.89 SMN1; SMN2 (0.41) SMN1; SMN2PPARGPPARARXFP1TP53
SCHEMBL5374028 0.83 RXFP1 (0.49) SMN1; SMN2PPARGPPARARXFP1PPARD
SCHEMBL5382837 0.81 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL5382828 0.81 PPARG (0.43) PPARGPPARAPPARD

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-20040087636-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-05-06 US claimed
US-6664281-B1 Oxazol-4-yl-alkoxy- or alkthioxy- functionality; peroxisome proliferator activated receptor regulators ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-16 US claimed
EP-1108713-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP claimed

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-20040087636-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD SMN1; SMN2 4797/4885PPARG 2/4885PPARA 1/4885

“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.