SCHEMBL2496641

SCHEMBL2496641

CC(Oc1cc(OCCCl)cc(OCCCl)c1)(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 13/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PPARG P37231 7/20 0.40
▸ PPARD Q03181 4/20 0.40
▸ FABP2 P12104 2/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ BCL2 P10415 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RHOC P08134 1/20 0.37
▸ RHOA P61586 1/20 0.37
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36

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
SCHEMBL2494539 0.88 PPARA (0.40) PPARAMEN1MAPTKMT2APPARG
SCHEMBL11595598 0.83 PPARA (0.55) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL11595888 0.82 PPARA (0.54) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL2499574 0.81 PPARA (0.44) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL11598665 0.80 PPARA (0.46) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL11597279 0.80 PPARD (0.50) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL11596113 0.80 PPARA (0.51) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL11595828 0.80 PPARA (0.53) PPARAMEN1KMT2APPARGPPARD
SCHEMBL11598181 0.79 MCL1 (0.47) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL11597072 0.79 PPARA (0.50) PPARACYP1A2CYP3A4MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030347-B2 Cylopenta[b]benzofuran derivatives and the utilization thereof BAYER HEALTHCARE AG (DE) 2011-10-04 — — US disclosed
US-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof BAYER HEALTHCARE AG (DE) 2009-01-15 — — 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-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof FKBP1A, FKBP2, FKBP1B PPARA 1130/4885CYP1A2 1651/4885CYP3A4 3019/4885

“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.

Send feedback