SCHEMBL3210145

SCHEMBL3210145

COC(=O)c1ccc2cc(C)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
PTPN11 Q06124 1/20 0.58
CYP2A6 P11509 2/20 0.56
LCK P06239 1/20 0.56
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
XDH P47989 1/20 0.53
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ALOX15 P16050 2/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 3/20 0.49

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
SCHEMBL6414914 0.94 CYP2A6 (0.65) TDP1PTPN11CYP2A6LCKCA1
SCHEMBL29365729 0.90 PTPN11 (0.68) TDP1PTPN11LCKCA1CA2
SCHEMBL69025 0.90 PTPN11 (0.68) TDP1PTPN11LCKCA1CA2
SCHEMBL8732524 0.88 PTPN11 (0.66) TDP1PTPN11LCKCA1CA2
SCHEMBL9979782 0.86 PTPN11 (0.64) TDP1PTPN11LCKCA1CA2
SCHEMBL811009 0.85 PTPN11 (0.58) TDP1PTPN11LCKCA1CA2
SCHEMBL20718475 0.84 LCK (0.60) TDP1PTPN11CYP2A6LCKCA1
SCHEMBL709231 0.84 LCK (0.62) TDP1PTPN11LCKCA1CA2
SCHEMBL12734103 0.83 KMT2A (0.56) TDP1CYP2A6MAPTALDH1A1CYP1A2
SCHEMBL7744907 0.82 PTPN11 (0.65) PTPN11LCKCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2025-04-22 US disclosed
CN-118702566-A Preparation method of 2-methyl-6-naphthoate and 2, 6-naphthalene dicarboxylic acid 开滦能源化工股份有限公司 2024-09-27 CN disclosed
CN-118702570-A Method for preparing 2, 6-dimethyl naphthalene dicarboxylate 安徽泰达新材料股份有限公司 2024-09-27 CN disclosed
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed
CN-114773192-B Method for continuously preparing 2, 6-dimethyl naphthalene dicarboxylate slices 煤炭科学技术研究院有限公司 2023-09-26 CN disclosed
US-11674966-B2 Kit and method for measuring measurement target substance in biological sample FUJIFILM CORPORATION (JP) 2023-06-13 US disclosed
CN-217661612-U Recrystallization system for purifying dimethyl 2, 6-naphthalene dicarboxylate 煤炭科学技术研究院有限公司 2022-10-28 CN disclosed
US-20210371390-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME Amydis, Inc. 2021-12-02 US disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
CN-1007492-B TECHNOLOGY FOR RECIRCULATING USE OF CATALYST IDEMITSU PETROCHEMICAL CO (JP) 1990-04-11 CN disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
CN-87104325-A Catalyst circulation is used technology 1988-07-06 CN disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 US disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 EP 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 (4 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-20210371390-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME APP, CRYAA, APBA1 TDP1 973/4885PTPN11 4666/4885CYP2A6 4136/4885
US-11674966-B2 Kit and method for measuring measurement target substance in biological sample KIT, TACR2, TACR1 TDP1 1985/4885PTPN11 4127/4885CYP2A6 1878/4885
US-12281080-B2 Quinoline-based compounds and methods of inhibiting CDK8/19 CDK8, CDK9, CDK19 TDP1 801/4885PTPN11 2880/4885CYP2A6 3184/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 TDP1 684/4885PTPN11 2657/4885CYP2A6 3210/4885

“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.