SCHEMBL6376702

SCHEMBL6376702

C[C@H](Nc1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.66
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 3/20 0.52
CYP3A4 P08684 3/20 0.52
HSD17B10 Q99714 2/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
NCOR2 Q9Y618 3/20 0.49
TAAR1 Q96RJ0 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5604987 1.00 GAA (0.73) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL1884341 1.00 GAA (0.73) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL27547071 0.98 GAA (0.70) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL10054998 0.95 GAA (0.73) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL673127 0.91 ALDH1A1 (0.67) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL11010837 0.88 GAA (0.59) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL11207120 0.87 ALDH1A1 (0.65) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL3408275 0.87 ALDH1A1 (0.65) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL8090683 0.87 GAA (0.63) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL19018126 0.87 ALDH1A1 (0.67) GAAALDH1A1KDM4ETDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4375495-A TRIPHENYLMETHYL METHACRYLATE, HELICES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-01 US claimed
EP-0034337-A2 A process for the optical resolution of a racemic mixture DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-26 EP claimed
EP-2623509-A1 Method of producing an optically active amine compound by catalytic asymmetric hydrogenation using a ruthenium-diphosphine complex Kanto Kagaku Kabushiki Kaisha (JP) 2013-08-07 EP disclosed
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-08-01 US disclosed
WO-2009019469-A2 PYRROLIDINES AS CATALYST COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2009-02-12 WO disclosed
US-20050107608-A1 Ligands for use in catalytic processes EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH ETHZ (CH) 2005-05-19 US disclosed
US-4555574-A MAIN UNIT OF POLYMER USEFUL AS SEPARATING AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1985-11-26 US disclosed
US-4511475-A RESOLUTION OF RACEMIC MIXTURES WITH TRIPHENYLMETHYL METHACRYLATE POLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-16 US disclosed
EP-0068290-B1 OPTICALLY ACTIVE POLYMERS OF METHACRYLATE ESTERS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1985-01-16 EP disclosed
EP-0034337-B1 A PROCESS FOR THE OPTICAL RESOLUTION OF A RACEMIC MIXTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-24 EP disclosed
US-4473690-A FOR OPTICAL RESOLUTIONS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-25 US disclosed
EP-0093511-A1 Method for producing and optically active 2,2-dimethylcyclopropanecarboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-09 EP disclosed
US-4375495-A TRIPHENYLMETHYL METHACRYLATE, HELICES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-01 US disclosed
EP-0068290-A1 Optically active polymers of methacrylate esters DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-05 EP disclosed
EP-0034337-A2 A process for the optical resolution of a racemic mixture DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-26 EP 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-20050107608-A1 Ligands for use in catalytic processes PNKP, ITPA, PLCG2 GAA 447/4885ALDH1A1 3445/4885KDM4E 3430/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM GAA 4322/4885ALDH1A1 3607/4885KDM4E 2696/4885

“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.