SCHEMBL3421589

SCHEMBL3421589

CCc1cccc(C2CC2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.47
▸ CYP4A11 Q02928 2/20 0.47
▸ FFAR1 O14842 8/20 0.47
▸ SLC5A1 P13866 1/20 0.44
▸ SLC5A2 P31639 1/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ BCL2 P10415 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL5487171 0.83 CYP4F2 (0.50) CYP4F2CYP4A11FFAR1KDM1AMAOA
SCHEMBL30967881 0.81 FFAR1 (0.51) CYP4F2CYP4A11FFAR1KDM1AMAOA
SCHEMBL30967880 0.81 FFAR1 (0.51) CYP4F2CYP4A11FFAR1KDM1AMAOA
SCHEMBL10267695 0.80 FFAR1 (0.55) FFAR1KDM1AALDH1A1
SCHEMBL8332767 0.79 MGLL (0.46) CYP4F2CYP4A11SLC5A1SLC5A2SIGMAR1
SCHEMBL23116570 0.79 FFAR1 (0.65) FFAR1ALDH1A1HDAC4
SCHEMBL21501054 0.79 FFAR1 (0.65) FFAR1ALDH1A1HDAC4
SCHEMBL7868650 0.79 FFAR1 (0.65) FFAR1ALDH1A1HDAC4
SCHEMBL3042239 0.79 FFAR1 (0.65) FFAR1ALDH1A1HDAC4
SCHEMBL10288305 0.79 FFAR1 (0.65) FFAR1ALDH1A1HDAC4

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-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 — — US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 — — 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 (2 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-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 CYP4F2 1694/4885CYP4A11 1881/4885FFAR1 3294/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 CYP4F2 1846/4885CYP4A11 2152/4885FFAR1 3410/4885

“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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