SCHEMBL6488041

SCHEMBL6488041

Cc1cc(OCCCC(=O)O)cc2c1nc(C)n2CCc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.44
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
P2RY12 Q9H244 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 1/20 0.38
PDE2A O00408 1/20 0.38
FFAR1 O14842 6/20 0.38
BCL2L1 Q07817 1/20 0.37
AKR1B10 O60218 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37

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
SCHEMBL6500708 0.83 MCL1 (0.47) MCL1BCL2L1
SCHEMBL6491177 0.80 PPARD (0.40) MCL1PPARGPPARDPPARAFFAR1
SCHEMBL6492318 0.79 MCL1 (0.49) MCL1BCL2L1
SCHEMBL6488122 0.78 MCL1 (0.46) MCL1PDE3BPDE3AP2RY12TP53
SCHEMBL6496494 0.77 MCL1 (0.45) MCL1PDE3BPDE3AP2RY12PPARG
SCHEMBL6502699 0.76 MCL1 (0.46) MCL1TP53FFAR4
SCHEMBL6487495 0.76 MCL1 (0.46) MCL1BCL2L1FFAR4
SCHEMBL6490634 0.76 MCL1 (0.46) MCL1PPARGBCL2L1FFAR4
SCHEMBL6528719 0.75 MCL1 (0.44) MCL1PDE3BPDE3AP2RY12TP53
SCHEMBL6501386 0.75 MCL1 (0.48) MCL1PDE3BPDE3AP2RY12FFAR1

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD MCL1 806/4885PDE3B 411/4885PDE3A 733/4885

“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.