SCHEMBL13643168

SCHEMBL13643168

C=C(OCC)c1ccc(CC(C)CCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
EPHX2 P34913 8/20 0.33
PPARG P37231 5/20 0.33
TRPA1 O75762 1/20 0.32
TAAR1 Q96RJ0 3/20 0.32
SLC6A2 P23975 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13643182 0.86 EPHX2 (0.37) EPHX2PPARGLMNA
SCHEMBL13643090 0.78 DRD2 (0.33)
SCHEMBL13643236 0.76 SMN1; SMN2 (0.34) EPHX2PPARGLMNA
SCHEMBL4774732 0.75 LMNA (0.40) EPHX2PPARGLMNA
SCHEMBL14838816 0.75 ALDH1A1 (0.47) LMNA
SCHEMBL4440798 0.75 TAAR1 (0.41) TRPA1TAAR1SLC6A2
SCHEMBL2103710 0.73 POLB (0.35) CYP4F2CYP4A11EPHX2PPARG
SCHEMBL13162604 0.73 ATM (0.48) PPARG
SCHEMBL14031564 0.73 RAB9A (0.36) EPHX2PPARG
SCHEMBL2657602 0.72 MAPT (0.47) CYP4F2CYP4A11EPHX2PPARG

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-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CYP4F2 4617/4885CYP4A11 4619/4885EPHX2 2831/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CYP4F2 4522/4885CYP4A11 4488/4885EPHX2 2808/4885

“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.