SCHEMBL184934

SCHEMBL184934

B.CC(C)N(c1ccccc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
ELANE P08246 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
PTPN1 P18031 1/20 0.35
CES1 P23141 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL141145 0.97 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL28390686 0.94 ALDH1A1 (0.41) ALDH1A1LMNATP53SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL29160785 0.94 ALDH1A1 (0.41) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL11477017 0.85 ALDH1A1 (0.50) ALDH1A1LMNATP53SMN1; SMN2HTT
Ethylamine SCHEMBL29204897 0.85 TAAR1 (0.41) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL11780696 0.82 POLB (0.42) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL20438385 0.82 ALDH1A1 (0.39) ALDH1A1TP53TDP1ALOX15
SCHEMBL11813958 0.80 ALOX5 (0.42) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL27547756 0.80 ALDH1A1 (0.38) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL10689284 0.78 ALDH1A1 (0.36) ALDH1A1LMNATP53SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543569-A Borane-N,N-dialkylaniline hydroboration agents ALDRICH CHEMICAL COMPANY, INC. (US) 1996-08-06 US claimed
US-9029571-B2 Device and method for evaluating organic material for organic solar cell NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2015-05-12 US disclosed
US-20140213800-A1 DEVICE AND METHOD FOR EVALUATING ORGANIC MATERIAL FOR ORGANIC SOLAR CELL NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2014-07-31 US disclosed
EP-1626052-B1 PROCESS FOR PRODUCTION OF PHOSPHINE-BORANE COMPLEXES TAKEDA PHARMACEUTICAL (JP) 2012-01-04 EP disclosed
US-7541498-B2 Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 US disclosed
US-20060199968-A1 Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1626052-A1 PROCESS FOR PRODUCTION OF PHOSPHINE-BORANE COMPLEXES Takeda Pharmaceutical Company Limited (JP) 2006-02-15 EP disclosed
US-5543569-A Borane-N,N-dialkylaniline hydroboration agents ALDRICH CHEMICAL COMPANY, INC. (US) 1996-08-06 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-20140213800-A1 DEVICE AND METHOD FOR EVALUATING ORGANIC MATERIAL FOR ORGANIC SOLAR CELL HAO2, HAO1, DAO ALDH1A1 231/4885LMNA 3726/4885TP53 1659/4885
US-20060199968-A1 Process for production of phosphine-borane complexes BRS3, BRPF1, BRSK1 ALDH1A1 4513/4885LMNA 3290/4885TP53 1521/4885

“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.