SCHEMBL83160

SCHEMBL83160

COC([O])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
EPHX1 P07099 1/20 0.39
THRB P10828 1/20 0.39
ACP3 P15309 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6203867 0.77 CHRNA7 (0.41) KMT2ATSHRALDH1A1GAA
SCHEMBL6202338 0.77 CYP1A2 (0.43) KMT2AALDH1A1HPGD
SCHEMBL6205148 0.75 ADRB2 (0.44) IDO1TDO2TSHRHPGD
SCHEMBL6205817 0.75 CA1 (0.52) KMT2ACES2CES1ACP3CA12
SCHEMBL1357005 0.75 ALDH1A1 (0.39) KMT2ACES2CES1CYP2D6SRC
SCHEMBL6206390 0.75 AOC3 (0.44) IDO1TDO2ALDH1A1GAAHPGD
SCHEMBL6205041 0.75 IDO1 (0.46) KMT2AIDO1TDO2ALDH1A1GAA
SCHEMBL9662373 0.75 TSHR (0.41) KMT2ACYP2D6TSHRHPGD
SCHEMBL5168017 0.75 AOC3 (0.49) ACP3TSHRALDH1A1HPGD
SCHEMBL4022188 0.74 CES2 (0.46) KMT2ACES2CES1CYP2D6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936487-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-07-09 CN claimed
WO-2024111390-A1 COMPOUND AND METHOD FOR PRODUCING SAME 学校法人帝京大学 2024-05-30 WO claimed
EP-3870295-B1 NOVEL TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-03-08 EP claimed
US-20210387996-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-16 US claimed
CN-112888480-A Novel tricyclic compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2021-06-01 CN 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
WO-2020191503-A1 METHODS AND USES OF BROMANTANE AND DERIVATIVES THEREOF FOR TREATING LUNG DISEASE, FATTY LIVER DISEASE, AND KIDNEY DISORDERS ALGERNON PHARMACEUTICALS INC. (CA) 2020-10-01 WO claimed
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO claimed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
US-4734495-A Process and intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-03-29 US claimed
US-4675400-A FORM CONJUGATES WITH IMMUNOGLOBULINS; ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1987-06-23 US claimed
US-4596676-A Bifunctional ester derivatives of 4-desacetyl indole-dihydroindole alkaloids LILLY INDUSTRIES LIMITED (GB) 1986-06-24 US claimed
EP-0123441-A1 Vincaleukoblastine derivatives LILLY INDUSTRIES LIMITED (GB) 1984-10-31 EP claimed
US-4331597-A AMOXYCILLIN DERIVATIVES MEIJI SEIKA KAISHA, LTD. (JP) 1982-05-25 US claimed
US-4269990-A CHEMICAL INTERMEDIATES FOR 1-UNSUBSTITUTED-2-(4-INDANYL- OR 5-NAPHTHYLAMINO)-2-IMIDAZOLINE, USEFUL AS DRUGS BASF AKTIENGESELLSCHAFT (DE) 1981-05-26 US claimed
US-4232151-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1980-11-04 US claimed
US-4079181-A INTERMEDIATES FOR 3-HYDROXY-3-CEPHEM COMPOUNDS SHIONOGI & CO., LTD. (JA) 1978-03-14 US claimed
US-4073902-A ANTIMICROBIAL COMPOUNDS CIBA-GEIGY CORPORATION (US) 1978-02-14 US claimed
US-4009277-A 1,2-Dialkyl-3,4,5-trisubstituted pyrazolium salts as fungicidal agents AMERICAN CYANAMID COMPANY (US) 1977-02-22 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-20210387996-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE TOP2B, HAVCR2, SLC10A1 KMT2A 1316/4885CES2 286/4885CES1 39/4885

“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.