SCHEMBL3695690

SCHEMBL3695690

COc1ccc(C(O)C(O)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
AOC3 Q16853 2/20 0.53
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACP3 P15309 1/20 0.48
SLC2A1 P11166 1/20 0.48
ACHE P22303 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
LTA4H P09960 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL19728209 1.00 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL11938486 1.00 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL19728201 1.00 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL11938484 1.00 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL19728202 0.91 ACHE (0.65) CA1CA2CA12CA7CA9
SCHEMBL6873530 0.91 ACP3 (0.61) CA1CA2CA12CA7CA9
SCHEMBL690324 0.88 AOC3 (0.52) CA1CA2CA12CA7CA9
Erythro Anethole Glycol SCHEMBL3234807 0.88 AOC3 (0.53) CA1CA2CA12CA7CA9
SCHEMBL12919903 0.86 CA12 (0.48) CA1CA2CA12CA7CA9
SCHEMBL17832178 0.85 NPC1 (0.55) MAPK1LTA4HESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114108014-B Method for synthesizing pinacol by selective electroreduction coupling of active hydrogen-mediated carbonyl compound in water 天津大学 2023-08-11 CN claimed
CN-114108014-A Method for synthesizing pinacol by selective electroreduction coupling of carbonyl compound mediated by active hydrogen in water 天津大学 2022-03-01 CN claimed
US-6642170-B1 Metals selected from tantalum, vanadium, niobium, chromium, molybdenum or tungsten on catalyst supports such as zeolites, oxides of silicon, aluminum, titanium, titanium, niobium or tantalum, used for etherification of alcohols-2+ CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2003-11-04 US claimed
US-6194019-B1 ORGANOLEPTIC 1,2-DIOL DISUBSTITUTED WITH PHENYL, CYCLOHEXYL, OR BENZODIOXOLE RINGS; FOODS, TOBACCO; MASKING SMOKE ODORS GIVAUDAN S.A. (CH) 2001-02-27 US claimed
EP-0746986-B1 Delayed release flavourant compositions GIVAUDAN ROURE INT (CH) 2000-08-23 EP claimed
US-5904148-A Delayed release flavorant compositions GIVADUAN-ROURE (INTERNATIONAL) SA (CH) 1999-05-18 US claimed
EP-0746986-A2 Delayed release flavourant compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 EP claimed
US-4087463-A COBALT CARBONYL CATALYST MONSANTO COMPANY (US) 1978-05-02 US claimed
US-20230272188-A1 ADDITIVE COMPOSITION, RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE OF SAID RESIN COMPOSITION ADEKA CORPORATION (JP) 2023-08-31 US disclosed
CN-114108014-B Method for synthesizing pinacol by selective electroreduction coupling of active hydrogen-mediated carbonyl compound in water 天津大学 2023-08-11 CN disclosed
EP-4183827-A1 ADDITIVE COMPOSITION, RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE OF SAID RESIN COMPOSITION ADEKA CORPORATION (JP) 2023-05-24 EP disclosed
CN-111171085-B Rhamnose donor protected by orthocarbonate, and preparation method and application thereof 山东大学 2022-12-06 CN disclosed
CN-114108014-A Method for synthesizing pinacol by selective electroreduction coupling of carbonyl compound mediated by active hydrogen in water 天津大学 2022-03-01 CN disclosed
US-20170362152-A1 NOVEL 1,2-DIPHENYLETHYLENE GLYCOL COMPOUNDS FOR COMBATING AGING OF THE SKIN, AND COSMETIC USE THEREOF L'OREAL (FR) 2017-12-21 US disclosed
US-5904148-A Delayed release flavorant compositions GIVADUAN-ROURE (INTERNATIONAL) SA (CH) 1999-05-18 US disclosed
EP-0746986-A2 Delayed release flavourant compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 EP disclosed
US-5233089-A Charge transport material; used in electrophotographic plates to provide improved sensitivity, photoresponse and durability HITACHI, LTD. (JP) 1993-08-03 US disclosed
EP-0273426-B1 ENAMINE DERIVATIVES, PRODUCTION THEREOF AND ELECTROPHOTOGRAPHIC PLATES CONTAINING THE SAME Hitachi Chemical Co., Ltd. (JP) 1993-03-17 EP disclosed
EP-0273426-A2 Enamine derivatives, production thereof and electrophotographic plates containing the same Hitachi Chemical Co., Ltd. (JP) 1988-07-06 EP disclosed
US-4087463-A COBALT CARBONYL CATALYST MONSANTO COMPANY (US) 1978-05-02 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 (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-20170362152-A1 NOVEL 1,2-DIPHENYLETHYLENE GLYCOL COMPOUNDS FOR COMBATING AGING OF THE SKIN, AND COSMETIC USE THEREOF GLA, DSG1, GPX1 CA1 4799/4885CA2 4204/4885CA12 4736/4885

“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.