SCHEMBL3959620

SCHEMBL3959620

Cc1ccc2c(C)cccc2c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.62
CYP2A6 P11509 2/20 0.62
ALDH1A1 P00352 5/20 0.59
TRPA1 O75762 2/20 0.52
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.47
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A2 P23975 1/20 0.39
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30277929 1.00 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1TRPA1HTT
SCHEMBL30153473 0.98 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1TRPA1HTT
SCHEMBL10042783 0.84 ALDH1A1 (0.53) CYP1A2ALDH1A1TRPA1HTTLMNA
SCHEMBL8647823 0.84 LMNA (0.59) CYP1A2CYP2A6ALDH1A1TRPA1HTT
SCHEMBL6348058 0.84 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1TRPA1HTT
SCHEMBL23186475 0.80 PKM (0.62) ALDH1A1TRPA1HTTLMNAPKM
SCHEMBL4629602 0.80 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1TRPA1HTT
SCHEMBL599477 0.79 CYP1A2 (0.87) CYP1A2CYP2A6ALDH1A1TRPA1HPGD
SCHEMBL6705797 0.79 CYP1A2 (0.87) CYP1A2CYP2A6ALDH1A1TRPA1HPGD
SCHEMBL424167 0.79 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TRPA1HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4153555-B1 PHOTOOXIDATION OF PHENOLIC COMPOUNDS DSM IP ASSETS BV (NL) 2024-01-31 EP disclosed
CN-115667201-A Photooxidation of phenolic compounds 帝斯曼知识产权资产管理有限公司 2023-01-31 CN disclosed
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
US-5831073-A Ion triggered alkylation of biological targets by silyloxy aromatic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-11-03 US disclosed
US-5493012-A Ion triggered alkylation of biological targets by silyloxy aromatic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-02-20 US disclosed
US-4896723-A PHENOLIC RESIN CROSSLINKING MOBIL OIL CORPORATION (US) 1990-01-30 US disclosed
US-4859717-A Cross-linked polyvinyl alcohols and oil reservoir permeability control therewith MOBIL OIL CORPORATION (US) 1989-08-22 US disclosed
US-3987068-A COPPER-NITRILE COMPLEX CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-10-19 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 (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-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI CYP1A2 1255/4885CYP2A6 929/4885ALDH1A1 1163/4885

“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.