SCHEMBL13643182

SCHEMBL13643182

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.37
PPARG P37231 8/20 0.37
MAPT P10636 1/20 0.37
PPARA Q07869 3/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ESR2 Q92731 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PPARD Q03181 1/20 0.32
RAB9A P51151 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
SCHEMBL13643168 0.86 CYP4F2 (0.33) EPHX2PPARGLMNA
SCHEMBL13643236 0.80 SMN1; SMN2 (0.34) EPHX2PPARGLMNASMN1; SMN2ESR1
SCHEMBL14838816 0.78 ALDH1A1 (0.47) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL13643090 0.76 DRD2 (0.33)
SCHEMBL24326627 0.75 ACACB (0.38) PPARGESR1ESR2
SCHEMBL13643180 0.75 ESR1 (0.33) PPARGMAPTLMNAESR1ESR2
SCHEMBL2630547 0.74 GAA (0.46) MAPTLMNASMN1; SMN2CA12CA1
SCHEMBL13176964 0.72 ESR1 (0.59) MAPTLMNASMN1; SMN2CA12CA1
SCHEMBL5838111 0.72 IDO1 (0.42) SMN1; SMN2ESR1ESR2
SCHEMBL11531555 0.72 KMT2A (0.55) PPARGMAPTPPARALMNASMN1; SMN2

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 EPHX2 2831/4885PPARG 2756/4885MAPT 294/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 EPHX2 2808/4885PPARG 2510/4885MAPT 330/4885

“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.