SCHEMBL1020399

SCHEMBL1020399

CCCCc1cc(CC)cc(CC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
TYR P14679 1/20 0.44
DHFR P00374 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 4/20 0.42
HSPA5 P11021 1/20 0.42
PTGS2 P35354 6/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP3A4 P08684 2/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
MAOA P21397 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ESR1 P03372 2/20 0.38

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
SCHEMBL872707 0.96 TYR (0.47) EGFRTYRNPC1HPGDMAPK1
SCHEMBL1021654 0.94 ALOX5 (0.49) EGFRTYRDHFRHTTALOX5
SCHEMBL1023098 0.92 PTGS2 (0.50) EGFRTYRHTTALOX5PTGS2
SCHEMBL1023152 0.92 HPGD (0.52) EGFRTYRDHFRNPC1HPGD
SCHEMBL30628001 0.92 HPGD (0.52) EGFRTYRDHFRNPC1HPGD
SCHEMBL1312038 0.92 TYR (0.44) EGFRTYRDHFRNPC1HPGD
SCHEMBL600371 0.90 HSPA5 (0.53) EGFRTYRDHFRNPC1HPGD
SCHEMBL29427951 0.90 HSPA5 (0.53) EGFRTYRDHFRNPC1HPGD
SCHEMBL1022042 0.90 DHFR (0.46) EGFRTYRDHFRNPC1HPGD
SCHEMBL1025287 0.89 PTGS2 (0.55) EGFRNPC1HPGDMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4431491-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO 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-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-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
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP 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
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
CN-101652344-A 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 CORP (JP) 2010-02-17 CN disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 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
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
EP-1592664-A1 GRAFTABLE HINDERED AMINE LIGHT STABILIZERS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072035-A1 GRAFTABLE HINDERED AMINE LIGHT STABILIZERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO 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 (5 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 EGFR 3611/4885TYR 44/4885DHFR 1676/4885
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR EGFR 1501/4885TYR 48/4885DHFR 577/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH EGFR 3216/4885TYR 1646/4885DHFR 438/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 EGFR 2780/4885TYR 833/4885DHFR 379/4885
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 EGFR 3611/4885TYR 44/4885DHFR 1676/4885

“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.