SCHEMBL25205

SCHEMBL25205

COc1ccc2ccccc2c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
TSHR P16473 3/20 0.56
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
NCEH1 Q6PIU2 1/20 0.54
NQO1 P15559 1/20 0.54
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
RAB9A P51151 1/20 0.45

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
Acetic Acid SCHEMBL8578214 0.89 NCEH1 (0.58) MAPTTSHRCYP2A6CYP1A2NCEH1
SCHEMBL218881 0.84 CYP2A6 (0.58) MAPTTSHRCYP2A6CYP1A2NCEH1
SCHEMBL13021645 0.82 NQO1 (0.64) MAPTCYP2A6CYP1A2NQO1HPGD
SCHEMBL24299849 0.81 NCEH1 (0.57) MAPTTSHRCYP2A6CYP1A2NCEH1
SCHEMBL998182 0.80 MAPT (1.00) MAPTTSHRCYP2A6CYP1A2NQO1
SCHEMBL29428410 0.80 MAPT (1.00) MAPTTSHRCYP2A6CYP1A2NQO1
SCHEMBL19766698 0.79 MAPT (0.62) MAPTCYP1A2NQO1KMT2AMEN1
SCHEMBL8731312 0.79 NCEH1 (0.47) MAPTTSHRCYP2A6CYP1A2NCEH1
SCHEMBL278576 0.78 MAPT (0.67) MAPTTSHRCYP2A6CYP1A2NQO1
SCHEMBL30380487 0.78 MAPT (0.67) MAPTTSHRCYP2A6CYP1A2NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 US claimed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
WO-2023150374-A1 INDUCERS OF KLF2 AND METHODS OF USE THEREOF RIPARIAN PHARMACEUTICALS, INC. (US) 2023-08-10 WO disclosed
EP-4169902-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2023-04-26 EP disclosed
US-11566016-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-31 US disclosed
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 US disclosed
US-11339182-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-05-24 US disclosed
US-20220135605-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-05-05 US disclosed
WO-1999011655-A1 MODULAR PROTEIN LIBRARIES AND METHODS OF PREPARATION GRYPHON SCIENCES (US) 1999-03-11 WO disclosed
US-5840684-A Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
CN-1183773-A Alpha-substituted pyrimidine-thioalkyl and alkylether compounds UPJOHN CO (US) 1998-06-03 CN disclosed
US-5643925-A COGNITION ACTIVATORS AND NERVE GROWTH FACTORS SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
US-5614521-A NERVE GROWTH FACTOR SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0501656-B1 New benzene derivatives having (NGF) production-promoting activity SANKYO CO (JP) 1997-01-22 EP disclosed
US-5324324-A Coated implantable stimulation electrode and lead SIEMENS PACESETTER, INC. (US) 1994-06-28 US disclosed
EP-0501656-A2 New benzene derivatives having (NGF) production-promoting activity Sankyo Company Limited (JP) 1992-09-02 EP disclosed
CN-1046528-A As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound AMERICAN HOME PROD (US) 1990-10-31 CN disclosed
US-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 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 (7 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-11566016-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 MAPT 30/4885TSHR 4665/4885CYP2A6 4660/4885
US-20220135605-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, TRPA1 MAPT 601/4885TSHR 1622/4885CYP2A6 3406/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 MAPT 4216/4885TSHR 187/4885CYP2A6 950/4885
US-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL MAPT 459/4885TSHR 2334/4885CYP2A6 3311/4885
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use NMT2, NMT1, MBOAT1 MAPT 133/4885TSHR 4586/4885CYP2A6 3929/4885
US-11339182-B2 Organic electroluminescent materials and devices CRY2, CRY1, CRYAA MAPT 2505/4885TSHR 2355/4885CYP2A6 930/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS MAPT 279/4885TSHR 1662/4885CYP2A6 3163/4885

“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.