SCHEMBL548731

SCHEMBL548731

CC(C)(O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.50
CASR P41180 1/20 0.50
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2A6 P11509 4/20 0.44
CYP1A2 P05177 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
UGT2B7 P16662 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL547724 0.91 PTPN1 (0.40) PTPN1CASRCYP3A4SLC6A2SLC6A4
SCHEMBL547580 0.88 PTPN1 (0.43) PTPN1CASRCYP3A4SLC6A2SLC6A4
SCHEMBL7132144 0.86 CASR (0.58) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL4490328 0.84 ESR1 (0.57) PTPN1CASRCA1CA2
SCHEMBL27508894 0.83 CASR (0.51) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL28588561 0.83 CASR (0.47) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL13704988 0.82 HPRT1 (0.52) CYP3A4CYP2A6CYP1A2TDP1
SCHEMBL599567 0.81 PTPN1 (0.48) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL30222062 0.81 PTPN1 (0.48) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL28297057 0.81 PTPN1 (0.48) PTPN1CASRCYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61293936-A None JP disclosed
EP-4734932-A1 ORGANIC COMPOUNDS AND THEIR USE FOR GENERATING A FRAGRANT ALCOHOL Givaudan SA (CH) 2026-05-06 EP disclosed
WO-2025003204-A1 ORGANIC COMPOUNDS AND THEIR USE FOR GENERATING A FRAGRANT ALCOHOL GIVAUDAN SA (CH) 2025-01-02 WO disclosed
US-11852970-B2 Material for lithography, production method therefor, composition for lithography, pattern formation method, compound, resin, and method for purifying the compound or the resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-26 US disclosed
US-20230280655-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-07 US disclosed
US-20230280655-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-07 US disclosed
US-11572430-B2 Compound, resin, resist composition or radiation-sensitive composition, resist pattern formation method, method for producing amorphous film, underlayer film forming material for lithography, composition for underlayer film formation for lithography, method for forming circuit pattern, and purification method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-02-07 US disclosed
WO-2022094420-A1 SELECTIVE TRANSITION METAL CATALYZED DEUTERIUM INCORPORATION INTO ALKYNE AND ALKENE FUNCTIONALITIES MARQUETTE UNIVERSITY (US) 2022-05-05 WO disclosed
US-20220112233-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, PROTECTIVE GROUP-FORMING REAGENT, AND CONDENSED POLYCYCLIC AROMATIC HYDROCARBON COMPOUND FUJIFILM CORPORATION (JP) 2022-04-14 US disclosed
US-11243467-B2 Compound, resin, resist composition or radiation-sensitive composition, resist pattern formation method, method for producing amorphous film, underlayer film forming material for lithography, composition for underlayer film formation for lithography, method for forming circuit pattern, and purification method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-02-08 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0796835-A1 Process for the oxidation of isoalkyl-aromatic hydrocarbons and catalyst for carrying out this process Rütgers Kureha Solvents GmbH (DE) 1997-09-24 EP disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
JP-S61293936-A LIQUID-PHASE DEHYDRATION OF ALCOHOL HAVING AROMATIC SIDE-CHAIN AT ALPHA-SITE KUREHA CHEM IND CO LTD 1986-12-24 JP disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (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-11852970-B2 Material for lithography, production method therefor, composition for lithography, pattern formation method, compound, resin, and method for purifying the compound or the resin SLC39A11, CROCC, TERB1 PTPN1 4528/4885CASR 3678/4885CYP3A4 3096/4885
US-11572430-B2 Compound, resin, resist composition or radiation-sensitive composition, resist pattern formation method, method for producing amorphous film, underlayer film forming material for lithography, composition for underlayer film formation for lithography, method for forming circuit pattern, and purification method C9, C5, C1R PTPN1 2886/4885CASR 2268/4885CYP3A4 1754/4885
US-20220112233-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND, PROTECTIVE GROUP-FORMING REAGENT, AND CONDENSED POLYCYCLIC AROMATIC HYDROCARBON COMPOUND C1R, QRFPR, MCHR1 PTPN1 3804/4885CASR 1396/4885CYP3A4 3139/4885
US-11243467-B2 Compound, resin, resist composition or radiation-sensitive composition, resist pattern formation method, method for producing amorphous film, underlayer film forming material for lithography, composition for underlayer film formation for lithography, method for forming circuit pattern, and purification method C9, C5, C1R PTPN1 2886/4885CASR 2268/4885CYP3A4 1754/4885

“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.