SCHEMBL6766643

SCHEMBL6766643

CCOc1ccc([O])c(OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
NQO1 P15559 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ESR2 Q92731 1/20 0.46
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CYP1A2 P05177 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL9488121 0.81 NQO1 (0.54) KDM4ENQO1MEN1KMT2ANPC1
SCHEMBL2498271 0.80 NQO1 (0.59) KDM4ENQO1MEN1KMT2ANPC1
SCHEMBL29657372 0.80 NQO1 (0.59) KDM4ENQO1MEN1KMT2ANPC1
SCHEMBL7307663 0.80 CA12 (0.46) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL4396846 0.79 NQO1 (0.52) KDM4ENQO1MEN1KMT2ANPC1
SCHEMBL13990807 0.79 KDM4E (0.56) KDM4ENQO1MEN1KMT2ANPC1
SCHEMBL14764174 0.79 L3MBTL1 (0.47) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL4738029 0.78 NQO1 (0.50) KDM4ENQO1MEN1KMT2ANPC1
SCHEMBL14764249 0.78 MAPT (0.42) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL7692656 0.77 NQO1 (0.54) KDM4ENQO1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677379-B2 SUCH AS 3-((3-(3-TRIFLUOROMETHOXYPHENOXY)PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY) -PHENYL)METHYL) AMINO)-1,1,1-TRIFLUORO-2-PROPANOL FOR TREATMENT OF CORONARY ARTERY DISEASE PHARMACIA CORPORATION 2004-01-13 US claimed
US-6677353-B2 CONTAINING A HALOALKYL GROUP: E.G., 3-((3-(3-TRIFLUOROMETHOXYPHENOXY) PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY)PHENYL)METHYL)AMINO)-1,1,1-TRIFLUORO-2-PROPANOL PHARMACIA CORPORATION 2004-01-13 US disclosed
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-08 US disclosed
EP-0565488-B1 Fluorine free titanocenes and their application CIBA GEIGY AG (CH) 1999-04-21 EP disclosed
US-5340701-A Photoinitiators CIBA-GEIGY CORPORATION (US) 1994-08-23 US disclosed
EP-0415859-B1 Polyesters colored with the residue of heat stable anthraquinone compounds EASTMAN KODAK CO (US) 1993-11-03 EP disclosed
EP-0565488-A1 Fluorine free titanocenes and their application CIBA-GEIGY AG (CH) 1993-10-13 EP disclosed
EP-0351615-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF Aktiengesellschaft (DE) 1992-10-28 EP disclosed
EP-0489841-A1 POLYESTERS COLORED WITH THE RESIDUE OF HEAT STABLE ANTHRAQUINONE COMPOUNDS EASTMAN KODAK COMPANY (US) 1992-06-17 EP disclosed
US-5072034-A PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
WO-1991003509-A1 POLYESTERS COLORED WITH THE RESIDUE OF HEAT STABLE ANTHRAQUINONE COMPOUNDS EASTMAN KODAK COMPANY (US) 1991-03-21 WO disclosed
US-4999418-A Food Containers EASTMAN KODAK COMPANY (US) 1991-03-12 US disclosed
EP-0415859-A1 Polyesters colored with the residue of heat stable anthraquinone compounds EASTMAN CHEMICAL COMPANY (US) 1991-03-06 EP disclosed
EP-0351615-A1 Process for the preparation of 4-alkoxy-2-hydroxybenzophenone-5-sulfonic acids BASF Aktiengesellschaft (DE) 1990-01-24 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-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT KDM4E 2831/4885NQO1 3058/4885MEN1 4599/4885

“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.