SCHEMBL2729018

SCHEMBL2729018

CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(/C=C\CCCC#N)CCC[C@]21C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ PDK1 Q15118 1/20 0.57
▸ PDK2 Q15119 1/20 0.57
▸ PDK3 Q15120 1/20 0.57
▸ PDK4 Q16654 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RXRA P19793 1/20 0.53
▸ CCNE1 P24864 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ RXRB P28702 1/20 0.53

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
SCHEMBL15389866 1.00 KARS1 (0.57) KARS1CYP3A4MEN1KMT2ATSHR
SCHEMBL2729019 1.00 KARS1 (0.57) KARS1CYP3A4MEN1KMT2ATSHR
SCHEMBL2727958 0.95 CYP3A4 (0.58) KARS1CYP3A4MEN1KMT2ATSHR
SCHEMBL2727960 0.95 CYP3A4 (0.58) KARS1CYP3A4MEN1KMT2ATSHR
SCHEMBL2728267 0.95 CYP3A4 (0.58) KARS1CYP3A4MEN1KMT2ATSHR
SCHEMBL2727992 0.89 CYP3A4 (0.63) KARS1CYP3A4MEN1KMT2ATSHR
SCHEMBL2727991 0.89 CYP3A4 (0.63) KARS1CYP3A4MEN1KMT2ATSHR
Fumaric Acid SCHEMBL15389008 0.83 KARS1 (0.57) KARS1CYP3A4MEN1KMT2ATSHR
Fumaric Acid SCHEMBL2728217 0.83 KARS1 (0.57) KARS1CYP3A4MEN1KMT2ATSHR
Fumaric Acid SCHEMBL2728216 0.83 KARS1 (0.57) KARS1CYP3A4MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822692-B2 Diterpenoid derivatives endowed of biological properties SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE, S.P.A. (IT) 2014-09-02 — — US disclosed
EP-2632892-B1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA TAU IND FARMACEUTI (IT) 2014-07-30 — — EP disclosed
US-20130310423-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-11-21 — — US disclosed
EP-2632892-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2013-09-04 — — EP disclosed
WO-2012055894-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-05-03 — — WO 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-20130310423-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES PTGIS, CYP11B2, CYP11B1 KARS1 4322/4885CYP3A4 1340/4885MEN1 2276/4885

“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