SCHEMBL3720341

SCHEMBL3720341

OCC1(c2ccccc2)OC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM1A O60341 7/20 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
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 3/20 0.34
MAOA P21397 6/20 0.32
MAOB P27338 6/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A4 P31645 1/20 0.31

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
SCHEMBL8993540 1.00 PTGS2 (0.45) PTGS2ALDH1A1KDM1ACHRM2CHRM4
SCHEMBL11003541 1.00 PTGS2 (0.45) PTGS2ALDH1A1KDM1ACHRM2CHRM4
SCHEMBL9724816 0.84 CYP2A6 (0.41) PTGS2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9724812 0.84 CYP2A6 (0.41) PTGS2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9724818 0.84 CYP2A6 (0.41) PTGS2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL19809419 0.79 MAOA (0.40) PTGS2ALDH1A1KDM1ACHRM2CHRM4
SCHEMBL11699378 0.78 KDM1A (0.45) PTGS2ALDH1A1KDM1ACHRM2CHRM4
SCHEMBL10444501 0.78 HTR2C (0.36) PTGS2ALDH1A1KDM1AGAAMAPT
SCHEMBL10444517 0.78 PTGS2 (0.38) PTGS2ALDH1A1KDM1AGAAMAPT
SCHEMBL10444572 0.78 KCNN4 (0.39) PTGS2ALDH1A1KDM1AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604071-B2 Method for producing hydroxymethyl diphenyloxiranes and corresponding 1-azolylmethyl-1,2-diphenyloxiranes BASF SE (DE) 2013-12-10 US disclosed
EP-2393795-B1 METHOD FOR PRODUCING HYDROXYMETHYL DIPHENYLOXIRANES AND CORRESPONDING 1-AZOLYLMETHYL-1,2-DIPHENYLOXIRANES BASF SE (DE) 2012-12-26 EP disclosed
EP-2393795-A1 METHOD FOR PRODUCING HYDROXYMETHYL DIPHENYLOXIRANES AND CORRESPONDING 1-AZOLYLMETHYL-1,2-DIPHENYLOXIRANES BASF SE (DE) 2011-12-14 EP disclosed
EP-2393795-A1 METHOD FOR PRODUCING HYDROXYMETHYL DIPHENYLOXIRANES AND CORRESPONDING 1-AZOLYLMETHYL-1,2-DIPHENYLOXIRANES BASF SE (DE) 2011-12-14 EP disclosed
US-20110295019-A1 Method for Producing Hydroxymethyl Diphenyloxiranes and Corresponding 1-azolylmethyl-1,2-diphenyloxiranes BASF SE (DE) 2011-12-01 US disclosed
WO-2010089353-A1 METHOD FOR PRODUCING HYDROXYMETHYL DIPHENYLOXIRANES AND CORRESPONDING 1-AZOLYLMETHYL-1,2-DIPHENYLOXIRANES BASF SE (DE) 2010-08-12 WO disclosed
WO-2010089353-A1 METHOD FOR PRODUCING HYDROXYMETHYL DIPHENYLOXIRANES AND CORRESPONDING 1-AZOLYLMETHYL-1,2-DIPHENYLOXIRANES BASF SE (DE) 2010-08-12 WO disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
EP-0454463-B1 Process for producing epoxyalcohols of high optical purity ARCO CHEM TECH (US) 1997-08-13 EP disclosed
US-5574169-A CHOLECYSTOKININ ANTAGONIST ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
US-5399708-A Cholecystokinin and gastrin antagonists; gastrointestinal and central nervous system disorders ELI LILLY AND COMPANY (US) 1995-03-21 US disclosed
EP-0422897-B1 Recovery of water-insoluble epoxy alcohols ARCO CHEM TECH (US) 1994-06-22 EP disclosed
US-5278070-A Process for producing epoxyalcohols of high optical purity ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1994-01-11 US disclosed
EP-0454463-A2 Process for producing epoxyalcohols of high optical purity ARCO Chemical Technology, L.P. (US) 1991-10-30 EP disclosed
US-4935101-A Process for the recovery of a water-insoluble epoxy alcohol ARCO CHEMICAL TECHNOLOGY, INC. (US) 1990-06-19 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-20070203347-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 PTGS2 260/4885ALDH1A1 320/4885KDM1A 1824/4885
US-20110295019-A1 Method for Producing Hydroxymethyl Diphenyloxiranes and Corresponding 1-azolylmethyl-1,2-diphenyloxiranes DHPS, HMOX2, HMOX1 PTGS2 29/4885ALDH1A1 11/4885KDM1A 156/4885

“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.