SCHEMBL1884341

SCHEMBL1884341

CC(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
SCHEMBL6376702 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 194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057935-B1 PROCESS FOR FORMING PRIMARY, SECONDARY OR TERTIARY AMINE VIA DIRECT AMINATION REACTION RHODIA OPERATIONS (FR) 2018-12-26 EP claimed
US-9663446-B2 Process for forming a primary, a secondary or a tertiary amine via a direct amination reaction RHODIA OPERATIONS (FR) 2017-05-30 US claimed
US-20170056337-A1 ANTIBACTERIAL S-HETEROSUBSTITUTED DISULFIDES UNIVERSITY OF SOUTH FLORIDA (US) 2017-03-02 US claimed
US-9512160-B2 Antibacterial S-heterosubstituted disulfides UNIVERSITY OF SOUTH FLORIDA (US) 2016-12-06 US claimed
US-9469620-B2 Process for forming a primary, a secondary or a tertiary amine via a direct amination reaction RHODIA OPERATIONS (FR) 2016-10-18 US claimed
US-20160244401-A1 Process for forming a primary, a secondary or a tertiary amine via a direct amination reaction SPECIALTY OPERATIONS FRANCE (FR) 2016-08-25 US claimed
EP-3057935-A1 PROCESS FOR FORMING PRIMARY, SECONDARY OR TERTIARY AMINE VIA DIRECT AMINATION REACTION Rhodia Operations (FR) 2016-08-24 EP claimed
US-20150344453-A1 PROCESS FOR FORMING A PRIMARY, A SECONDARY OR A TERTIARY AMINE VIA A DIRECT AMINATION REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-12-03 US claimed
EP-2935201-A1 PROCESS FOR FORMING A PRIMARY, A SECONDARY OR A TERTIARY AMINE VIA A DIRECT AMINATION REACTION Rhodia Operations (FR) 2015-10-28 EP claimed
WO-2015054828-A1 PROCESS FOR FORMING PRIMARY, SECONDARY OR TERTIARY AMINE VIA DIRECT AMINATION REACTION RHODIA OPERATIONS (FR) 2015-04-23 WO claimed
WO-2014094650-A1 PROCESS FOR FORMING A PRIMARY, A SECONDARY OR A TERTIARY AMINE VIA A DIRECT AMINATION REACTION RHODIA OPERATIONS (FR) 2014-06-26 WO claimed
US-4554334-A ANIONIC COMPLEX CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1985-11-19 US claimed
US-4478953-A COORDINATION, POLYMERIZATION CATALYST CONTAINING A LIGAND; ORGANOMETALLIC COMPOUND AND SECONDARY AMINE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-23 US claimed
US-4375495-A TRIPHENYLMETHYL METHACRYLATE, HELICES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-01 US claimed
JP-1066207-A None JP disclosed
JP-56167708-A None JP disclosed
JP-57209908-A None JP disclosed
EP-0019985-A1 A method for stabilizing a lubricating oil UNIROYAL, INC. (US) 1980-12-10 EP disclosed
EP-0019985-A1 A method for stabilizing a lubricating oil UNIROYAL, INC. (US) 1980-12-10 EP disclosed
US-3985376-A Dye precursors for pressure-sensitive recording material BASF AKTIENGESELLSCHAFT (DT) 1976-10-12 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 (3 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-20160244401-A1 Process for forming a primary, a secondary or a tertiary amine via a direct amination reaction ADH1A, ADH5, ADH1C GAA 1840/4885ALDH1A1 59/4885KDM4E 1699/4885
US-20170056337-A1 ANTIBACTERIAL S-HETEROSUBSTITUTED DISULFIDES STS, SCLY, TST GAA 3059/4885ALDH1A1 2316/4885KDM4E 4312/4885
US-20150344453-A1 PROCESS FOR FORMING A PRIMARY, A SECONDARY OR A TERTIARY AMINE VIA A DIRECT AMINATION REACTION ADH1A, ADH5, PFAS GAA 3173/4885ALDH1A1 91/4885KDM4E 1871/4885

“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.