SCHEMBL12867940

SCHEMBL12867940

CC1=C(C)N(c2c(C)cc(C)cc2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.30
CRHR1 P34998 2/20 0.30
MAPK1 P28482 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL820145 0.73 ALDH1A1 (0.35) ALDH1A1MAPTNPSR1POLBHTT
Hydrochloric Acid SCHEMBL819271 0.71 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL16834246 0.70 ALDH1A1 (0.37) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL5790127 0.70 ALDH1A1 (0.37) ALDH1A1MAPTNPSR1POLBHTT
Hydrochloric Acid SCHEMBL2796752 0.68 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1POLBHTT
Hydrochloric Acid SCHEMBL2796754 0.68 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL22430538 0.68 HSD17B10 (0.53) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL20106885 0.67 ALDH1A1 (0.60) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL22430526 0.67 HSD17B10 (0.47) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL22211295 0.67 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1POLBHTT

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-8501975-B2 Method for manufacturing ruthenium carbene complexes EVONIK DEGUSSA GMBH (DE) 2013-08-06 US disclosed
US-20110040099-A1 METHOD FOR MANUFACTURING RUTHENIUM CARBENE COMPLEXES EVONIK DEGUSSA GMBH (DE) 2011-02-17 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-20110040099-A1 METHOD FOR MANUFACTURING RUTHENIUM CARBENE COMPLEXES RNF168, CROCC, MRPL21 ALDH1A1 2157/4885MAPT 3432/4885NPSR1 4685/4885

“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.