SCHEMBL981912

SCHEMBL981912

CCCc1ccccc1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
PPARD Q03181 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Biphenyl SCHEMBL17473044 0.95 THRA (0.48) THRATHRBLTB4RLTB4R2PPARD
SCHEMBL728984 0.89 THRA (0.60) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL6006352 0.88 HTR1A (0.46) THRATHRBNPSR1MTNR1AMTNR1B
SCHEMBL981970 0.88 THRA (0.67) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL729676 0.87 THRA (0.53) THRATHRBLTB4RLTB4R2PPARD
SCHEMBL7065312 0.87 THRA (0.53) THRATHRBLTB4RLTB4R2PPARD
SCHEMBL29581614 0.87 THRA (0.53) THRATHRBLTB4RLTB4R2PPARD
SCHEMBL47951 0.86 L3MBTL1 (0.48) THRATHRBNPSR1KDM4EMEN1
SCHEMBL1836583 0.86 THRA (0.69) THRATHRBLTB4RLTB4R2PPARA
SCHEMBL21681728 0.86 THRA (0.69) THRATHRBLTB4RLTB4R2PPARA

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
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
CN-115023837-A Electrolyte solution 奥升德功能材料运营有限公司 2022-09-06 CN disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
US-11174337-B2 Isocyanate composition, method for producing isocyanate polymer and isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-16 US disclosed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
US-20200048405-A1 ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE POLYMER AND ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-02-13 US disclosed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-20090076293-A1 PROCESSES FOR PREPARING DIARYL AND/OR ALKYLARYL CARBONATES FROM DIALKYL CARBONATES BAYER MATERIALSCIENCE AG (DE) 2009-03-19 US disclosed
US-20080293960-A1 Process For The Preparation Of Diaryl Carbonates Or Arylalkyl Carbonates From Dialkyl Carbonates BAYER MATERIALSCIENCE AG (DE) 2008-11-27 US disclosed
US-6197918-B1 INTERCHANGE REACTION OF DIALKYL CARBONATE AND AROMATIC ALCOHOL; CATALYSIS WITH TITANIUM HALIDE, ALKOXIDE, ARYLOXIDE, OR ACETOXIDE GENERAL ELECTRIC COMPANY 2001-03-06 US disclosed
EP-0591923-B1 Continuous production of aromatic carbonates DAICEL CHEM (JP) 1998-08-26 EP disclosed
US-5380908-A From alkylaryl carbonates produced from dialkyl carbonates and a phenol, distillation of alcohol DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-10 US disclosed
EP-0591923-A1 Continuous production of aromatic carbonates DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-13 EP disclosed
US-5008353-A Organic peroxide having a polymerization-regulating ability NIPPON OIL AND FATS CO., LTD. (JP) 1991-04-16 US disclosed
US-4929747-A POLYMERIZATION CATALYSTS NIPPON OIL & FATS COMPANY, LTD. (JP) 1990-05-29 US disclosed
US-4495362-A ALKYL PHENYL CARBONATE REACTED WITH A NITROPARAFFIN IN THE PRESENCE OF A CYANIDE ION MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1985-01-22 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 (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-20080293960-A1 Process For The Preparation Of Diaryl Carbonates Or Arylalkyl Carbonates From Dialkyl Carbonates HDHD5, ALKBH3, AHR THRA 4545/4885THRB 4747/4885LTB4R 4557/4885
US-20090076293-A1 PROCESSES FOR PREPARING DIARYL AND/OR ALKYLARYL CARBONATES FROM DIALKYL CARBONATES DHCR7, ADH1C, AKR1C4 THRA 2338/4885THRB 2253/4885LTB4R 2478/4885

“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.