SCHEMBL5619009

SCHEMBL5619009

CCOc1cccc(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
TP53 P04637 1/20 0.55
SOD1 P00441 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
NQO1 P15559 1/20 0.44
LTA4H P09960 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
GRM2 Q14416 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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
SCHEMBL29979999 1.00 CYP3A4 (0.55) CYP3A4TP53SOD1L3MBTL1LMNA
Alcohol SCHEMBL28543970 0.94 L3MBTL1 (0.51) CYP3A4TP53SOD1L3MBTL1LMNA
SCHEMBL28543971 0.88 CYP3A4 (0.49) CYP3A4TP53SOD1L3MBTL1LMNA
SCHEMBL10211503 0.85 L3MBTL1 (0.57) CYP3A4SOD1L3MBTL1LMNAPOLB
SCHEMBL13191971 0.85 TP53 (0.52) CYP3A4TP53SOD1L3MBTL1LMNA
SCHEMBL1546661 0.85 TP53 (0.52) CYP3A4TP53SOD1L3MBTL1LMNA
SCHEMBL12251342 0.83 L3MBTL1 (0.60) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL1547082 0.83 TP53 (0.50) CYP3A4TP53SOD1L3MBTL1LMNA
SCHEMBL13639099 0.83 L3MBTL1 (0.56) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL25005890 0.82 SOD1 (0.53) CYP3A4SOD1L3MBTL1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986095-A Preparation method of m-tert-butyl phenetole 中国药科大学 2024-05-07 CN claimed
CN-111135781-B Production system for etoxazole 荆门金贤达生物科技有限公司 2024-03-15 CN claimed
CN-111138308-B Chloroamide synthetic reaction system 荆门金贤达生物科技有限公司 2024-01-30 CN claimed
CN-111138374-B Etoxazole production line 荆门金贤达生物科技有限公司 2023-11-10 CN claimed
CN-112661615-A Production process of m-tert-butyl phenyl ether 湖北易普乐生物科技有限公司 2021-04-16 CN claimed
CN-117986095-A Preparation method of m-tert-butyl phenetole 中国药科大学 2024-05-07 CN disclosed
CN-117986095-A Preparation method of m-tert-butyl phenetole 中国药科大学 2024-05-07 CN disclosed
CN-117986095-A Preparation method of m-tert-butyl phenetole 中国药科大学 2024-05-07 CN disclosed
CN-114315530-B Preparation process of m-tert-butylphenol and synthesis method of etoxazole 永农生物科学有限公司 2024-03-15 CN disclosed
CN-111135781-B Production system for etoxazole 荆门金贤达生物科技有限公司 2024-03-15 CN disclosed
CN-111138308-B Chloroamide synthetic reaction system 荆门金贤达生物科技有限公司 2024-01-30 CN disclosed
CN-111138308-B Chloroamide synthetic reaction system 荆门金贤达生物科技有限公司 2024-01-30 CN disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7214668-B2 Phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. (US) 2007-05-08 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20040147764-A1 Method for production of delta 1-pyrrolines BAYER CROPSCIENCE AG (DE) 2004-07-29 US disclosed
EP-1379500-A2 METHOD FOR THE PRODUCTION OF $g(D)?1 PYRROLINES Bayer CropScience AG (DE) 2004-01-14 EP disclosed
WO-2002081442-A2 METHOD FOR THE PRODUCTION OF Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2002-10-17 WO disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 1988-07-20 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 (2 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-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 CYP3A4 1798/4885TP53 4883/4885SOD1 4775/4885
US-20040147764-A1 Method for production of delta 1-pyrrolines AR, NR5A1, SRD5A1 CYP3A4 408/4885TP53 2588/4885SOD1 2690/4885

“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.