SCHEMBL6907186

SCHEMBL6907186

Cc1cccc2c1Oc1c(C)cccc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR5A P47898 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL1672615 0.86 MAOA (0.59) MAOAMAOBTSHRACHEALDH1A1
SCHEMBL14537388 0.83 MAOA (0.31) MAOAMAOBCYP1A2CYP2A6ALDH1A1
SCHEMBL13495858 0.83 AKR1B1 (0.44) CYP1A2ALDH1A1CA9HPGDBRD4
SCHEMBL14048130 0.80 HTR5A (0.31) ALDH1A1HPGDMEN1KMT2AHTR5A
SCHEMBL11981459 0.80 MAOA (0.38) MAOAMAOBHTR2CUCK2HTR2A
SCHEMBL8817780 0.76 MAOA (0.41) MAOAMAOBTSHRCYP3A4ACHE
SCHEMBL10460624 0.76 MAOA (0.47) MAOAMAOBCYP1A2CYP2A6HPGD
SCHEMBL13839619 0.73 ALDH1A1 (0.35) MAOAMAOBTSHRACHEALDH1A1
SCHEMBL257506 0.73 PARP1 (0.52) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL834241 0.73 ALDH2 (0.37) TSHRALDH1A1HPGDBRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349935-A Pyrrolidin derivatives 华领医药技术(上海)有限公司 2018-07-31 CN disclosed
US-9217006-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
US-9217006-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
US-8450501-B2 Bidentate chiral ligands for use in catalytic asymmetric addition reactions SOLVIAS AG (CH) 2013-05-28 US disclosed
US-8450501-B2 Bidentate chiral ligands for use in catalytic asymmetric addition reactions SOLVIAS AG (CH) 2013-05-28 US disclosed
US-8415488-B2 Bidentate secondary phosphine oxide chiral ligands for use in asymmetric addition reactions SOLVIAS AG (CH) 2013-04-09 US disclosed
US-8415488-B2 Bidentate secondary phosphine oxide chiral ligands for use in asymmetric addition reactions SOLVIAS AG (CH) 2013-04-09 US disclosed
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-8058798-B2 Emissive metal complexes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-11-15 US disclosed
EP-2360162-A1 LUMINESCENT SILVER COMPLEXES Sumitomo Chemical Company, Limited (JP) 2011-08-24 EP disclosed
US-20110108822-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110108822-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110089818-A1 Emissive metal complexes NATIONAL SCIENCE FOUNDATION 2011-04-21 US disclosed
WO-2010054728-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-05-20 WO disclosed
US-7612241-B1 Hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2009-11-03 US disclosed
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 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-20110108822-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ICMT, ORAI2, EPCAM MAOA 419/4885MAOB 545/4885CYP1A2 279/4885
US-20110089818-A1 Emissive metal complexes AP1M1, AP2M1, AP3M1 MAOA 1915/4885MAOB 2695/4885CYP1A2 4279/4885
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SOD1, AS3MT, GLO1 MAOA 3577/4885MAOB 4151/4885CYP1A2 3865/4885

“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.