SCHEMBL1301378

SCHEMBL1301378

CC1(C)CCCC(CC(=O)CC2CCCC(C)(C)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
ARG1 P05089 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
GAA P10253 1/20 0.32
NAMPT P43490 1/20 0.32
APLNR P35414 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL7500234 0.86 CYP1A2 (0.41) CYP1A2ARG1APLNR
SCHEMBL10885049 0.86 CYP2C19 (0.33) IDO1TDO2
SCHEMBL15541523 0.82 BRD4 (0.38) CYP1A2GAASCN9A
SCHEMBL10405974 0.82 IDO1 (0.33) IDO1TDO2
SCHEMBL27928439 0.81 GAA (0.40) CYP1A2ARG1IDO1TDO2GAA
SCHEMBL23824765 0.79 ALDH1A1 (0.36) GAA
SCHEMBL23824768 0.78 ALDH1A1 (0.36) GAA
SCHEMBL13742190 0.77 APLNR (0.36) IDO1TDO2APLNR
SCHEMBL28346473 0.76 IDO1 (0.33) IDO1TDO2
SCHEMBL20399500 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385947-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-16 EP disclosed
US-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-03 US disclosed
WO-2010079114-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2010-07-15 WO disclosed
US-6025323-A CONFERRING AROMATIC AND THUJONIC NOTES TO PERFUMES FIRMENICH SA (CH) 2000-02-15 US disclosed
EP-0868502-B1 USE OF CYCLIC KETONES IN PERFUMERY FIRMENICH & CIE (CH) 1999-12-01 EP disclosed
EP-0868502-A1 USE OF CYCLIC KETONES IN PERFUMERY FIRMENICH SA (CH) 1998-10-07 EP disclosed
WO-1998013447-A1 USE OF CYCLIC KETONES IN PERFUMERY FIRMENICH S.A. (CH) 1998-04-02 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-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS TTN, CCNI, TPH1 CYP1A2 649/4885ARG1 4485/4885IDO1 21/4885

“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.