SCHEMBL3972334

SCHEMBL3972334

CC1(C)OC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.43
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17660056 1.00 KDM1A (0.43) KDM1AMAOAMAOBCYP3A4MAPK1
SCHEMBL5955814 1.00 KDM1A (0.43) KDM1AMAOAMAOBCYP3A4MAPK1
SCHEMBL12013625 0.82 KDM1A (0.32) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL10515985 0.80 CHRNA7 (0.44) KDM1AMAOAMAOBCYP3A4MAPK1
SCHEMBL12013615 0.77 LMNA (0.46) KDM1AMAOBMAPK1KMT2AMEN1
SCHEMBL12013618 0.77 POLB (0.50) KDM1AMAOBTSHRKMT2AMEN1
SCHEMBL3973022 0.77 CHRM2 (0.40) KDM1AMAOAMAOBCYP3A4MAPK1
SCHEMBL7107611 0.77 CHRM2 (0.40) KDM1AMAOAMAOBCYP3A4MAPK1
SCHEMBL12013622 0.75 RECQL (0.41) KDM1ATSHRNPSR1ALDH1A1
SCHEMBL5899629 0.75 KDM1A (0.36) KDM1AMAOAMAOBCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217769-A Method for synthesizing epoxy compound by catalyzing olefin epoxidation through nano aluminum oxide 华南理工大学 2020-06-02 CN claimed
US-8575394-B2 Preparation of alpha-hydroxyketones BASF SE (DE) 2013-11-05 US disclosed
US-8575394-B2 Preparation of alpha-hydroxyketones BASF SE (DE) 2013-11-05 US disclosed
US-20120289721-A1 PREPARATION OF ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2012-11-15 US disclosed
US-20120289721-A1 PREPARATION OF ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2012-11-15 US disclosed
US-8252959-B2 Preparation of α-hydroxy and α-amino ketones BASF SE (DE) 2012-08-28 US disclosed
US-8252959-B2 Preparation of α-hydroxy and α-amino ketones BASF SE (DE) 2012-08-28 US disclosed
US-20090221816-A1 Process for the Asymmetric Epoxidation of Olefins LANXESS DEUTSCHLAND GMBH (DE) 2009-09-03 US disclosed
EP-1813608-B1 Preparation of alpha-hydroxy ketones CIBA HOLDING INC (CH) 2009-07-29 EP disclosed
US-7544819-B2 Process for the asymmetric epoxidation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2009-06-09 US disclosed
WO-1998015544-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-04-16 WO disclosed
EP-0272421-B1 COLOR STABILIZED IRRADIATED POLYCARBONATE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1993-03-03 EP disclosed
US-4894401-A DISCOLORATION INHIBITION GENERAL ELECTRIC COMPANY (US) 1990-01-16 US disclosed
US-4873278-A Inhibition of irradiation yellowing in polysulfone compositions GENERAL ELECTRIC COMPANY (US) 1989-10-10 US disclosed
EP-0272421-A2 Color stabilized irradiated polycarbonate compositions GENERAL ELECTRIC COMPANY (US) 1988-06-29 EP disclosed
US-4650908-A Production of arylacetaldehydes THE DOW CHEMICAL COMPANY (US) 1987-03-17 US disclosed
US-4186255-A POLYURETHANE CATALYST TEXACO DEVELOPMENT CORPORATION (US) 1980-01-29 US disclosed
US-4136240-A METALLIC QUATERNARY AMMONIUM CARBOXYLATES AS POLYISOCYANURATE CATALYSTS TEXACO DEVELOPMENT CORPORATION (US) 1979-01-23 US disclosed
US-4075130-A DIAMINES, TRIAMINES TEXACO DEVELOPMENT CORPORATION (US) 1978-02-21 US disclosed
US-4060501-A Novolak derivatives as defoamers TEXACO DEVELOPMENT CORPORATION (US) 1977-11-29 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-20120289721-A1 PREPARATION OF ALPHA-HYDROXYKETONES BCKDK, OGDH, DHPS KDM1A 477/4885MAOA 1107/4885MAOB 1050/4885
US-20090221816-A1 Process for the Asymmetric Epoxidation of Olefins DUOX1, DUOX2, PPOX KDM1A 2630/4885MAOA 556/4885MAOB 452/4885

“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.