SCHEMBL1830671

SCHEMBL1830671

Cc1cc(C)cc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ACHE P22303 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MAOA P21397 1/20 0.46
CYP3A4 P08684 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL27471611 0.97 RXRA (0.58) RXRARXRBALDH1A1CYP1A1CYP1A2
SCHEMBL24444327 0.94 ALDH1A1 (0.53) RXRARXRBALDH1A1CYP1A1CYP1A2
SCHEMBL2837502 0.94 ALDH1A1 (0.53) RXRARXRBALDH1A1CYP1A1CYP1A2
SCHEMBL14036342 0.92 MAOA (0.52) RXRARXRBALDH1A1CYP1A1CYP1A2
SCHEMBL27948002 0.92 MAOA (0.52) RXRARXRBALDH1A1CYP1A1CYP1A2
SCHEMBL446623 0.90 RXRA (0.52) RXRARXRBALDH1A1CYP1A1CYP1A2
Bicarbonate SCHEMBL27850297 0.90 RXRA (0.63) RXRARXRBALDH1A1LMNASMN1; SMN2
SCHEMBL9083578 0.90 ACHE (0.57) RXRARXRBALDH1A1ACHETSHR
Hydrogen Sulfide SCHEMBL27621093 0.90 MAOA (0.50) RXRARXRBALDH1A1CYP1A1CYP1A2
SCHEMBL23518713 0.89 MAOA (0.48) RXRARXRBALDH1A1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003111-B1 PROCESS FOR PRODUCTION OF 5-PHENYLISOPHTHALIC ACID MITSUBISHI GAS CHEMICAL CO (JP) 2012-07-04 EP claimed
US-8168819-B2 Process for production of 5-phenylisophthalic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-05-01 US claimed
US-20090156858-A1 Process For Production of 5-Phenylisophthalic Acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-06-18 US claimed
EP-2003111-A1 PROCESS FOR PRODUCTION OF 5-PHENYLISOPHTHALIC ACID Mitsubishi Gas Chemical Company, Inc. (JP) 2008-12-17 EP claimed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
US-20250127030-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-04-17 US disclosed
US-12171138-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2024-12-17 US disclosed
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
CN-116162256-A High-efficiency photoluminescent material with flexible electrons and preparation method and application thereof 常州大学 2023-05-26 CN disclosed
CN-115448956-A Molecular arrangement of homoleptic iridium phosphors 南加州大学 2022-12-09 CN disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000064841-A2 PHOSPHINE LIGANDS, METAL COMPLEXES AND COMPOSITIONS THEREOF FOR CROSS-COUPLING REACTIONS SYMYX TECHNOLOGIES, INC. (US) 2000-11-02 WO disclosed
CN-1269371-A Preparation of conjugated diene and/or monovinyl arene polymer JIANGSU SHENGJIE INDUSTRY CO L (CN) 2000-10-11 CN disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-5561016-A HAVING PHOTOCONDUCTIVE LAYER CONTAINING CHARGE GENERATING MATERIAL, POLYVINYL BUTYRAL BINDER, CHARGE TRANSPORTING MATERIAL AND BIPHENYL(OR DERIVATIVE) ON ELECTROCONDUCTIVE SUPPORT RICOH COMPANY, LTD. (JP) 1996-10-01 US disclosed
CN-1009648-B Process for producing styrene-butadiene random copolymer INST OF YANSHAN PETROCHEMICAL (CN) 1990-09-19 CN disclosed
CN-1039036-A The manufacture method of atactic butadiene styrene copolymer INST OF YANSHAN PETRO CHEMICAL (CN) 1990-01-24 CN 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-20090156858-A1 Process For Production of 5-Phenylisophthalic Acid PAH, HPD, CYP1B1 RXRA 671/4885RXRB 456/4885ALDH1A1 370/4885
US-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R RXRA 1395/4885RXRB 1565/4885ALDH1A1 3383/4885
US-20250127030-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBP2, EML4, OSBP RXRA 1849/4885RXRB 1956/4885ALDH1A1 927/4885
US-12171138-B2 Organic electroluminescent materials and devices OSBP2, EML4, OSBP RXRA 1886/4885RXRB 2005/4885ALDH1A1 948/4885

“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.