SCHEMBL984724

SCHEMBL984724

CCCC(c1ccccc1O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
POLB P06746 3/20 0.42
LMNA P02545 5/20 0.35
CA2 P00918 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
BLM P54132 2/20 0.34
HIF1A Q16665 2/20 0.34
PTGS1 P23219 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CYP1A2 P05177 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL983326 0.89 TSHR (0.53) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL984697 0.87 TSHR (0.52) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL984286 0.86 TSHR (0.50) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL983710 0.86 TSHR (0.50) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL982158 0.86 TSHR (0.50) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL981649 0.86 TSHR (0.50) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL986071 0.86 TSHR (0.50) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL984726 0.85 TSHR (0.58) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL983639 0.84 TSHR (0.67) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL984596 0.83 TSHR (0.55) TSHRGABRA1GABRB2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP disclosed
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 US disclosed
EP-3142998-A1 PROMOTION OF IMINE FORMATION VIA CATIONIC RESIN CATALYST Dow Global Technologies LLC (US) 2017-03-22 EP disclosed
EP-2147909-B1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-12-14 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
CN-103467730-B Carbamate compounds Asahi Kasei Chemical K. K. (JP) 2015-12-23 CN disclosed
US-9162970-B2 Promotion of imine formatin via cationic resin catalyst KELLOGG BROWN & ROOT LLC (US) 2015-10-20 US disclosed
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-17 US disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed
CN-1381439-A Process for preparing phenylamine or alkylphenylamine CHINA PETROCHEMICAL CORP (CN) 2002-11-27 CN disclosed
CN-1381440-A Catalyst for preparing phenylamine or alkylphenylamine CHINA PETROCHEMICAL CORP (CN) 2002-11-27 CN disclosed
US-5545753-A REACTING PHENOLS WITH AMINATION AGENT IN PRESENCE OF LOW ALKALI AND WEAKLY ACIDIC ALUMINA CATALYST TO FORM DESIRED ANILINES IN HIGH YIELDS AND SELECTIVITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-08-13 US disclosed
EP-0321275-B1 Preparation of anilines MITSUI PETROCHEMICAL IND (JP) 1994-06-08 EP disclosed
EP-0293483-B1 PROCESS FOR PREPARING ANILINES, CATALYST THEREFOR, AND PROCESS FOR PREPARING THE CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-01-20 EP disclosed
US-4987260-A AMINATION OF PHENOLS WITH ALUMINA CATALYST HAVING INK BOTTLE SHAPED PORES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-01-22 US disclosed
EP-0321275-A2 Preparation of anilines MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-21 EP disclosed
EP-0293483-A1 PROCESS FOR PREPARING ANILINES, CATALYST THEREFOR, AND PROCESS FOR PREPARING THE CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-12-07 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 (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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 TSHR 4479/4885GABRA1 2484/4885GABRB2 2619/4885
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester PAH, APEH, CPS1 TSHR 4479/4885GABRA1 2484/4885GABRB2 2619/4885

“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.