SCHEMBL98036

SCHEMBL98036

COc1cccc(OC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP3A4 P08684 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
CHRM5 P08912 1/20 0.47
PARP1 P09874 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 1/20 0.44
MAOB P27338 1/20 0.44
ENPP2 Q13822 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL14877346 0.89 KMT2A (0.41) ACHECES2CES1CA1CA2
SCHEMBL1587526 0.83 CYP2A6 (0.56) CA1CA7CA9ALDH1A1CYP1A1
1,3-Dimethoxybenzene SCHEMBL28114932 0.82 CES2 (0.57) ACHECES2CES1CYP3A4CA1
1,3-Dimethoxybenzene SCHEMBL28217358 0.82 ACHE (0.54) ACHECES2CES1CYP3A4CA1
SCHEMBL2092735 0.81 ALDH1A1 (0.58) CYP3A4ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL29282086 0.81 ABL1 (0.61) CYP3A4LMNAMAOBCYP1A1CYP1A2
1,3-Dimethoxybenzene SCHEMBL901285 0.81 ACHE (0.70) ACHECES2CES1CYP3A4CA1
1,3-Dimethoxybenzene SCHEMBL9350 0.81 ACHE (0.70) ACHECES2CES1CYP3A4CA1
SCHEMBL535411 0.80 ACHE (0.52) ACHECES2CES1CYP3A4CA1
SCHEMBL28764686 0.79 CYP1A2 (0.57) ALDH1A1CYP1A1CYP1A2CYP2A6CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371309-A Indenoacetates method for synthesizing compound 南通大学 2025-01-28 CN claimed
CN-119371309-A Indenoacetates method for synthesizing compound 南通大学 2025-01-28 CN disclosed
CN-105431422-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2019-08-30 CN disclosed
CN-109456324-A New isoindoline or isoquinoline compound, preparation method and the Pharmaceutical composition containing them 法国施维雅药厂 2019-03-12 CN disclosed
CN-106414689-A Perfume composition 奇华顿股份有限公司 2017-02-15 CN disclosed
US-20150119606-A1 Process for production of vanillin and vanillin derivatives RHODIA OPERATIONS (FR) 2015-04-30 US disclosed
EP-2847156-A1 PROCESS FOR PRODUCTION OF VANILLIN AND VANILLIN DERIVATIVES Rhodia Operations (FR) 2015-03-18 EP disclosed
WO-2013166946-A1 PROCESS FOR PRODUCTION OF VANILLIN AND VANILLIN DERIVATIVES RHODIA OPERATIONS (FR) 2013-11-14 WO disclosed
WO-2013166642-A1 PROCESS FOR PRODUCTION OF VANILLIN AND VANILLIN DERIVATIVES RHODIA OPERATIONS (FR) 2013-11-14 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-4948777-A CYANINE DYES EASTMAN KODAK COMPANY (US) 1990-08-14 US disclosed
US-4948776-A Infrared absorbing chalcogenopyrylo-arylidene dyes for dye-donor element used in laser-induced thermal dye transfer EASTMAN KODAK COMPANY (US) 1990-08-14 US disclosed
US-4942141-A Infrared absorbing squarylium dyes for dye-donor element used in laser-induced thermal dye transfer EASTMAN KODAK COMPANY (US) 1990-07-17 US disclosed
US-4912083-A Dye containing azo group and morpholine and phenyl rings EASTMAN KODAK COMPANY (US) 1990-03-27 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0302441-A2 Bis-styryl compounds BASF Aktiengesellschaft (DE) 1989-02-08 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 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-20150119606-A1 Process for production of vanillin and vanillin derivatives UGDH, VARS1, SQLE ACHE 1470/4885CES2 462/4885CES1 649/4885

“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.