SCHEMBL13038554

SCHEMBL13038554

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(C)C)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 3/20 0.32
KDM4E B2RXH2 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
SCHEMBL20133798 0.90
SCHEMBL18649218 0.85 ALDH1A1 (0.33) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL22825416 0.78 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL10029427 0.77 HRH3 (0.37) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL13566591 0.76 L3MBTL1 (0.30)
SCHEMBL2233257 0.76 ALDH1A1 (0.32) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL14246510 0.75 ALDH1A1 (0.40) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL34468662 0.75 ALDH1A1 (0.36) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL30523298 0.75 ALDH1A1 (0.36) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL21562371 0.75 ALDH1A1 (0.36) ALDH1A1NPSR1POLBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336781-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2019-07-02 US disclosed
US-10316255-B2 Conversion of lipids into olefins UNIV ALBERTA (CA) 2019-06-11 US disclosed
US-10183899-B2 Normal alpha olefin synthesis using metathesis and dehydroformylation CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-01-22 US disclosed
US-20190002766-A1 CONVERSION OF LIPIDS INTO OLEFINS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-01-03 US disclosed
US-20170335051-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING POLYMER ASAHI GLASS COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2016-06-16 US disclosed
US-20100292486-A1 RECYCLABLE METATHESIS CATALYSTS HOVEYDA AMIR H 2010-11-18 US disclosed
US-20100292486-A1 RECYCLABLE METATHESIS CATALYSTS HOVEYDA AMIR H 2010-11-18 US disclosed
US-7723255-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2010-05-25 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 (4 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-10183899-B2 Normal alpha olefin synthesis using metathesis and dehydroformylation DHPS, CYP8B1, FDFT1 ALDH1A1 10/4885NPSR1 2391/4885POLB 1233/4885
US-20100292486-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885NPSR1 3329/4885POLB 1951/4885
US-10336781-B2 Recyclable metathesis catalysts DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885NPSR1 3329/4885POLB 1951/4885
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885NPSR1 3329/4885POLB 1951/4885

“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.