SCHEMBL96045

SCHEMBL96045

COc1cccc([C]=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
CA12 O43570 2/20 0.53
ACHE P22303 1/20 0.50
GRM5 P41594 3/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CA7 P43166 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
FFAR1 O14842 1/20 0.46
PARP1 P09874 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.44
ENPP2 Q13822 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
SCHEMBL30707880 0.82 GRM5 (0.66) CA1CA2CA9CA12ACHE
SCHEMBL6132140 0.82 GRM5 (0.66) CA1CA2CA9CA12ACHE
SCHEMBL8733210 0.80 ALDH1A1 (0.56) CA1CA2CA9CA12ACHE
SCHEMBL9422170 0.80 SMN1; SMN2 (0.45) CA1CA2CA9ALDH1A1TDP1
SCHEMBL10989447 0.79 SMN1; SMN2 (0.61) ALDH1A1
SCHEMBL2155696 0.79 CHRM2 (0.56) CA1CA2CA9CA12ACHE
SCHEMBL182676 0.78 ACHE (0.50) CA1CA2CA9CA12ACHE
SCHEMBL29666208 0.78 ACHE (0.50) CA1CA2CA9CA12ACHE
SCHEMBL852785 0.78 ACHE (0.50) CA1CA2CA9CA12ACHE
SCHEMBL30083320 0.78 P4HB (0.55) CA1CA2CA9CA12ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
CN-109069523-B Mannan-oligosaccharide compound and application thereof as anti-RNA virus drug 扬州蓝色生物医药科技有限公司 2022-05-06 CN claimed
CN-109796418-B Phenylalanine derivative containing 4-phenyl-1, 2, 3-triazole and preparation method and application thereof 山东大学 2022-03-25 CN claimed
CN-114106074-A Preparation method and application of antitumor drug P-X 雷海民 2022-03-01 CN claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-108440389-B 3,4, 5-trihydroxybenzoic acid derivative and preparation method and application thereof 山东大学 2020-05-29 CN claimed
CN-106795174-B Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof 扬州蓝色生物医药科技有限公司 2020-04-28 CN claimed
WO-1999026928-A1 SYNTHESIS OF 11-ARYL-5,6-DIHYDRO-11H-DIBENZ[B,E]AZEPINES PHARM-ECO LABORATORIES, INC. (US) 1999-06-03 WO claimed
CN-1209146-A Polymeric fluorescence quenching compounds and their use EASTMAN CHEM CO (US) 1999-02-24 CN claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-0868465-A1 POLYMERIC FLUORESCENCE QUENCHING COMPOUNDS AND THEIR USE EASTMAN CHEMICAL COMPANY (US) 1998-10-07 EP claimed
WO-1997023540-A1 POLYMERIC FLUORESCENCE QUENCHING COMPOUNDS AND THEIR USE EASTMAN CHEMICAL COMPANY (US) 1997-07-03 WO claimed
CN-1013111-B The method for preparing Benzazecin derivative HOFFMANN LA ROCHE (CH) 1991-07-10 CN claimed
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP claimed
US-4358596-A Process for the preparation of 1,2,3-thiadiazol-5-yl ureas SCHERING AG (DE) 1982-11-09 US claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US claimed

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CA1 2290/4885CA2 699/4885CA9 1554/4885

“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.