SCHEMBL2220947

SCHEMBL2220947

CC(C)(C)c1ccc2ccccc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
HIF1A Q16665 1/20 0.59
PTPN22 Q9Y2R2 1/20 0.54
CA2 P00918 1/20 0.52
LDHA P00338 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP2A6 P11509 1/20 0.44
RCE1 Q9Y256 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL22473836 0.88 HSD17B10 (0.59) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5596451 0.84 HSD17B10 (0.56) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL8384856 0.82 HSD17B10 (0.59) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL20340743 0.81 CYP1A2 (0.53) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL17722824 0.81 CYP1A2 (0.53) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL23861465 0.80 CYP1A2 (0.51) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL17899124 0.80 HPGD (0.56) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL4630970 0.79 HSD17B10 (0.44) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL7304753 0.79 HSD17B10 (0.59) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL1906196 0.78 HSD17B10 (0.48) HSD17B10CYP1A2CYP2D6CYP2C9HPGD

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-20110177454-A1 RESIST MATERIAL AND PATTERN FORMATION METHOD USING THE RESIST MATERIAL PANASONIC CORPORATION (JP) 2011-07-21 US claimed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
CN-112088198-B Treatment agent for 6-valent chromium, method for treating pollutant containing 6-valent chromium, and method for treating bone ash containing 6-valent chromium 西铁城时计株式会社 2023-10-03 CN disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-9895363-B2 Methods for modulating function of proliferating cell nuclear antigen (PCNA) and treating cancer with PCNA-targeting compounds UNIVERSITY OF CINCINNATI (US) 2018-02-20 US disclosed
US-9895363-B2 Methods for modulating function of proliferating cell nuclear antigen (PCNA) and treating cancer with PCNA-targeting compounds UNIVERSITY OF CINCINNATI (US) 2018-02-20 US disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
EP-0418064-B1 Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives SYMPHAR SA (CH) 1994-12-14 EP disclosed
EP-0418064-A2 Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives SYMPHAR S.A. (CH) 1991-03-20 EP disclosed
EP-0412851-A2 Photosensitive member and multi-color image forming method CANON KABUSHIKI KAISHA (JP) 1991-02-13 EP disclosed
US-4546180-A Process for preparing phosphite-isocyanurates oligomers BORG-WARNER CHEMICALS, INC. (US) 1985-10-08 US disclosed
EP-0074090-B1 POLYMER STABILIZERS BORG-WARNER CHEMICALS INC. (US) 1985-09-04 EP disclosed
US-4460681-A COLOR FORMING LAYERS, AND SOLVENT SOLUBLE BARRIE LAYERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-07-17 US disclosed
EP-0074090-A2 Polymer stabilizers BORG-WARNER CHEMICALS INC. (US) 1983-03-16 EP disclosed
US-4376857-A HEAT STABILIZERS FOR POLYMERS BORG-WARNER CORPORATION (US) 1983-03-15 US disclosed
US-4323714-A Alkylation of hydroxy-substituted aromatic compounds UOP INC. (US) 1982-04-06 US disclosed
US-4210414-A DISAZO AND NAPHTHOL DYES BASF AKTIENGESELLSCHAFT (DE) 1980-07-01 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 (3 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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS HSD17B10 4594/4885CYP1A2 3955/4885CYP2D6 3502/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HSD17B10 3100/4885CYP1A2 4271/4885CYP2D6 4456/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 HSD17B10 3100/4885CYP1A2 4271/4885CYP2D6 4456/4885

“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.