SCHEMBL90930

SCHEMBL90930

Cc1cccc2c1OC(C)O2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
MAP3K14 Q99558 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8900216 1.00 BRD4 (0.38) BRD4CREBBPMAP3K14CYP1A2CYP2A6
SCHEMBL17818432 0.77 CHRNB4 (0.41) CA1CA2ALDH1A1ACHE
SCHEMBL12856198 0.77 MAP3K14 (0.34) BRD4CREBBPMAP3K14CYP1A2CYP2A6
SCHEMBL25121292 0.77 P2RY6 (0.30)
SCHEMBL4498507 0.77 CHRNB4 (0.41) ALDH1A1TSHR
SCHEMBL12422694 0.76 BRD4 (0.32) BRD4CREBBPCYP1A2
Hydrochloric Acid SCHEMBL31010881 0.75 CHRNB4 (0.40) ALDH1A1TSHR
SCHEMBL20406703 0.75 MAP3K14 (0.37) BRD4CREBBPMAP3K14
SCHEMBL14428351 0.74 MAP3K14 (0.33) BRD4CREBBPMAP3K14CYP1A2CYP2A6
SCHEMBL13265245 0.74 HTT (0.40) BRD4CREBBPMAP3K14TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447677-B The preparation method of 4-hydroxyl-2,2-dimethyl-1,3-benzodioxole 湖南海利常德农药化工有限公司 2016-07-06 CN claimed
US-4808582-A LEARNING ENHANCEMENT DELALANDE S.A. (FR) 1989-02-28 US claimed
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-14 US disclosed
WO-2023164050-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023135564-A1 1,3-BENZODIOXOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2023-07-20 WO disclosed
WO-2023076237-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
WO-2022135572-A1 FIVE-MEMBERED RING DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-06-30 WO disclosed
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed
CN-107922843-B Material composition 默克专利股份有限公司 2021-12-10 CN disclosed
CN-107004768-B Organic semiconductor composition containing a liquid medium 巴斯夫欧洲公司 2020-08-21 CN disclosed
CN-109516923-A Compounds and organic luminescent device comprising it 东进世美肯株式会社 2019-03-26 CN disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 WO disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO 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 (5 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO BRD4 2298/4885CREBBP 4389/4885MAP3K14 3198/4885
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 BRD4 282/4885CREBBP 236/4885MAP3K14 3331/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R BRD4 482/4885CREBBP 1677/4885MAP3K14 2872/4885
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use GIPR, MC2R, GRPR BRD4 1687/4885CREBBP 4189/4885MAP3K14 4782/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R BRD4 482/4885CREBBP 1677/4885MAP3K14 2872/4885

“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.