SCHEMBL3249937

SCHEMBL3249937

[c]1c(C2CCCCC2)ccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPRC P08575 1/20 0.31
PTPRF P10586 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
CYP11B2 P19099 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL4721538 0.98 CYP1B1 (0.32) CYP1B1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4721678 0.94 ALDH1A1 (0.30) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL458139 0.90
SCHEMBL4719699 0.84 CYP1B1 (0.35) CYP1B1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4582513 0.82 ICMT (0.30)
SCHEMBL4721737 0.82 CYP1B1 (0.33) CYP1B1ALDH1A1CYP2D6HIF1AHSD17B10
SCHEMBL4720697 0.79 L3MBTL1 (0.34) CYP1B1ALDH1A1CYP2D6HIF1AHSD17B10
SCHEMBL6604353 0.76 SLC18A3 (0.38)
SCHEMBL4720723 0.75 SLC6A3 (0.32)
SCHEMBL4720998 0.74 ALDH1A1 (0.32) ALDH1A1HIF1AHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240053678-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-02-15 US disclosed
CN-117539126-A Resist composition and pattern forming method 信越化学工业株式会社 2024-02-09 CN disclosed
CN-114405547-A Metal complexes 利兹大学 2022-04-29 CN disclosed
CN-108368145-B Metal complexes 利兹大学 2021-12-31 CN disclosed
US-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-08-06 US disclosed
US-10717754-B2 Metal complexes UNIVERSITY OF LEEDS (GB) 2020-07-21 US disclosed
US-20200157060-A1 FILM FORMING MATERIAL, COMPOSITION FOR FILM FORMATION FOR LITHOGRAPHY, MATERIAL FOR OPTICAL COMPONENT FORMATION, RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, PERMANENT FILM FOR RESIST, RADIATION-SENSITIVE COMPOSITION, METHOD FOR PRODUCING AMORPHOUS FILM, UNDERLAYER FILM FORMING MATERIAL FOR LITHOGRAPHY, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, AND CIRCUIT PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-05-21 US disclosed
EP-3647869-A1 FILM-FORMING MATERIAL, LITHOGRAPHIC FILM-FORMING COMPOSITION, OPTICAL COMPONENT-FORMING MATERIAL, RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, RESIST PERMANENT FILM, RADIATION-SENSITIVE COMPOSITION, AMORPHOUS FILM PRODUCTION METHOD, LITHOGRAPHIC UNDERLAYER FILM-FORMING MATERIAL, LITHOGRAPHIC UNDERLAYER FILM-FORMING COMPOSITION, LITHOGRAPHIC UNDERLAYER FILM PRODUCTION METHOD, AND CIRCUIT PATTERN FORMATION METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2020-05-06 EP disclosed
CN-110856451-A Film-forming material, composition for forming film for lithography, material for forming optical member, resist composition, method for forming resist pattern, permanent film for resist, radiation-sensitive composition, method for producing amorphous film, material for forming underlayer film for lithography, composition for forming underlayer film for lithography, method for producing underlayer film for lithography, and method for forming circuit pattern 三菱瓦斯化学株式会社 2020-02-28 CN disclosed
EP-3390421-B1 METAL COMPLEXES UNIV LEEDS INNOVATIONS LTD (GB) 2020-01-29 EP disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed
US-4282171-A Phosphorus and sulfur containing amides and thioamides THE LUBRIZOL CORPORATION (US) 1981-08-04 US disclosed
US-4208357-A Process for preparing phosphorus and sulfur containing amides and thioamides THE LUBRIZOL CORPORATION (US) 1980-06-17 US disclosed
US-4081386-A ANTIOXIDANTS THE LUBRIZOL CORPORATION (US) 1978-03-28 US disclosed
US-4032461-A PHOSPHORUS AND SULFUR CONTAINING AMIDES AND THIOAMIDES AS LUBRICATING OIL ADDITIVES AND LUBRICATING OIL COMPOSITIONS CONTAINING SAME THE LUBRIZOL CORPORATION (US) 1977-06-28 US disclosed
US-4031023-A Lubricating compositions and methods utilizing hydroxy thioethers THE LUBRIZOL CORPORATION (US) 1977-06-21 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 (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-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD CROCC, RDX, RBBP9 CYP1B1 3474/4885ALDH1A1 4055/4885CYP1A2 3874/4885
US-20200157060-A1 FILM FORMING MATERIAL, COMPOSITION FOR FILM FORMATION FOR LITHOGRAPHY, MATERIAL FOR OPTICAL COMPONENT FORMATION, RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, PERMANENT FILM FOR RESIST, RADIATION-SENSITIVE COMPOSITION, METHOD FOR PRODUCING AMORPHOUS FILM, UNDERLAYER FILM FORMING MATERIAL FOR LITHOGRAPHY, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, AND CIRCUIT PATTERN FORMATION METHOD RAD51, C5, UBE2G2 CYP1B1 2213/4885ALDH1A1 3075/4885CYP1A2 1346/4885
US-10717754-B2 Metal complexes SDHB, MPI, AP1M1 CYP1B1 1080/4885ALDH1A1 1027/4885CYP1A2 1734/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CYP1B1 587/4885ALDH1A1 874/4885CYP1A2 1561/4885

“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.