SCHEMBL6554696

SCHEMBL6554696

CCOC(=O)CCC(=O)N(c1ccc(C(=O)NCc2cc(C#N)ccc2OCc2ccccc2)cc1C)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.39
CYP19A1 P11511 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.37
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6554460 0.89 CTSL (0.39) PPARGPPARDPPARACYP19A1MRGPRX4
SCHEMBL6554509 0.79 EPHX2 (0.46) PPARGPPARDMRGPRX4EPHX2
SCHEMBL7560287 0.77 MAPT (0.43) ALDH1A1LMNA
SCHEMBL6554549 0.75 SLC6A9 (0.46) PPARGPPARDPPARAMRGPRX4
Hydrochloric Acid SCHEMBL6554810 0.74 SLC6A9 (0.45) PPARGPPARDPPARAMRGPRX4
SCHEMBL6556891 0.73 F2 (0.39) EPHX2
SCHEMBL6554480 0.73 SMN1; SMN2 (0.41) ALDH1A1LMNA
SCHEMBL6321536 0.70 MRGPRX4 (0.38) MRGPRX4TRPM8LMNA
SCHEMBL6554457 0.70 CTSL (0.39) PPARGPPARDPPARACYP19A1MRGPRX4
SCHEMBL6555922 0.69 HTR6 (0.44) MRGPRX4

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
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 PPARG 3113/4885PPARD 1867/4885PPARA 2442/4885

“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.