SCHEMBL5604987

SCHEMBL5604987

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
SCHEMBL6376702 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57209908-A None JP disclosed
JP-56167708-A None JP disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-20170008863-A1 SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS CHONG, HYUN-SOON, PHD 2017-01-12 US disclosed
US-9446995-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
EP-2173713-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-02-17 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
CN-102659832-B Preparation method of tetracyclic terpene compound CHINESE ACAD INST CHEMISTRY 2014-11-26 CN disclosed
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-8501782-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 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-4478953-A COORDINATION, POLYMERIZATION CATALYST CONTAINING A LIGAND; ORGANOMETALLIC COMPOUND AND SECONDARY AMINE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-23 US disclosed
US-4473690-A FOR OPTICAL RESOLUTIONS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-25 US disclosed
EP-0089530-A2 Polimerization process of optically active polymer and catalyst therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1983-09-28 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
JP-S57209908-A ORGANIC POLYMER DAICEL CHEM IND LTD 1982-12-23 JP disclosed
JP-S56167708-A OPTICALLY ACTIVE POLYMER DAICEL CHEM IND LTD 1981-12-23 JP 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 (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-20170008863-A1 SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS AZI2, ABL1, DHPS GAA 398/4885ALDH1A1 1847/4885KDM4E 3648/4885

“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.