SCHEMBL4958788

SCHEMBL4958788

[CH2]c1ccc2ccccc2c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.60
TSHR P16473 4/20 0.60
CYP1A2 P05177 3/20 0.60
HSD17B10 Q99714 5/20 0.50
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 4/20 0.48
HIF1A Q16665 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
RAB9A P51151 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
HPRT1 P00492 1/20 0.46
CYP1B1 Q16678 1/20 0.42
NCEH1 Q6PIU2 1/20 0.41
MAPT P10636 1/20 0.39
PTPN22 Q9Y2R2 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
SCHEMBL17956313 0.80 ALDH1A1 (0.43) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL29736830 0.75 CYP2A6 (1.00) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL49861 0.75 CYP2A6 (1.00) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL16564094 0.75 ALDH1A1 (0.55) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL28814927 0.75 CYP2A6 (1.00) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
Formaldehyde SCHEMBL1056088 0.74 TSHR (0.86) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL2810487 0.73 CYP2A6 (0.95) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL9614419 0.73 CYP2A6 (0.95) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL31498531 0.73 CYP2A6 (0.95) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1
SCHEMBL28536959 0.73 CYP2A6 (0.95) CYP2A6TSHRCYP1A2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739162-B2 Side chain modified peptoids useful as structure-stabilizing coatings for biomaterials BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 2023-08-29 US disclosed
US-20210070886-A1 SIDE CHAIN MODIFIED PEPTOIDS USEFUL AS STRUCTURE-STABILIZING COATINGS FOR BIOMATERIALS UNITED STATES DEPARTMENT OF ENERGY 2021-03-11 US disclosed
EP-3050889-B1 ALKYL TIN COMPOUND ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
US-10640641-B2 Curable coating compositions of silane functional polymers KING INDUSTRIES (US) 2020-05-05 US disclosed
US-20200062953-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES 2020-02-27 US disclosed
CN-105579461-B Alkyl tin compound 旭化成株式会社 2020-02-14 CN disclosed
US-20180237635-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES 2018-08-23 US disclosed
US-9976028-B2 Curable coating compositions of silane functional polymers KING INDUSTRIES (US) 2018-05-22 US disclosed
US-9844775-B2 Alkyl tin compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-12-19 US disclosed
WO-2016137881-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES (US) 2016-09-01 WO disclosed
EP-0835289-B1 AMINOSILANE SALTS AND SILANAMIDES OF CARBOXYLIC ACIDS AS CORROSION INHIBITORS CIBA GEIGY AG (CH) 1999-05-19 EP disclosed
US-5879436-A REACTION PRODUCT OF CARBOXYLIC ACID AND AMINOSILANE; PROTECTIVE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-03-09 US disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0835289-A1 AMINOSILANE SALTS AND SILANAMIDES OF CARBOXYLIC ACIDS AS CORROSION INHIBITORS Ciba SC Holding AG (CH) 1998-04-15 EP disclosed
US-5612093-A Titanium and zirconium complexes of carboxylic acids as corrosion inhibitors CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
WO-1997001606-A1 AMINOSILANE SALTS AND SILANAMIDES OF CARBOXYLIC ACIDS AS CORROSION INHIBITORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-01-16 WO disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US disclosed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 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-20210070886-A1 SIDE CHAIN MODIFIED PEPTOIDS USEFUL AS STRUCTURE-STABILIZING COATINGS FOR BIOMATERIALS EPS15, POLM, TLR9 CYP2A6 3166/4885TSHR 3781/4885CYP1A2 4420/4885
US-11739162-B2 Side chain modified peptoids useful as structure-stabilizing coatings for biomaterials EPS15, POLM, TLR9 CYP2A6 3166/4885TSHR 3781/4885CYP1A2 4420/4885

“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.