SCHEMBL1839952

SCHEMBL1839952

CCCCCC(OC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NAAA Q02083 2/20 0.44
POLB P06746 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ASAH1 Q13510 2/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ACER2 Q5QJU3 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
SCHEMBL1836595 0.98 ALDH1A1 (0.50) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL1840792 0.98 ALDH1A1 (0.50) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL1841905 0.98 ALDH1A1 (0.50) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL1836927 0.95 POLB (0.49) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL1836826 0.90 ALDH1A1 (0.48) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL1836778 0.89 ALDH1A1 (0.50) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL28213048 0.89 ALDH1A1 (0.50) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL1836019 0.89 ALDH1A1 (0.50) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL1836596 0.89 ALDH1A1 (0.50) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL1841218 0.88 AOC3 (0.42) POLBLMNAPPARGPPARA

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
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 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
CN-107109445-B Organic acids from homocitric acid and homocitric acid derivatives 生物琥珀酸有限公司 2021-03-09 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-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-3153500-A1 METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-3153499-A1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
CN-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed
US-20140194650-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-8658819-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-02-25 US disclosed
CN-102105439-A Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP (JP) 2011-06-22 CN disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
EP-0929552-B1 ACRIDONE DERIVATIVES AND METHOD OF PREPARATION OF 8-HYDROXY IMIDAZOACRIDINONE DERIVATIVES BTG INT LTD (GB) 2002-04-03 EP disclosed
US-6229015-B1 FORMED BY REDUCTION AND CYCLIZATION IN THE PRESENCE OF FORMIC ACID AND PALLADIUM CATALYST; ANTITUMOR AND ANTICARCINOGENIC AGENTS PARTICULLARLY AGAINST LEUKEMIA, MELANOMAS OR COLON ADENOCARCINOMAS BTG INTERNATIONAL LIMITED (GB) 2001-05-08 US disclosed
EP-0929552-A1 ACRIDONE DERIVATIVES AND METHOD OF PREPARATION OF 8-HYDROXY IMIDAZOACRIDINONE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 1999-07-21 EP disclosed
WO-1998015554-A1 ACRIDONE DERIVATIVES AND METHOD OF PREPARATION OF 8-HYDROXY IMIDAZOACRIDINONE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 1998-04-16 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 (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-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 ALDH1A1 1568/4885NAAA 57/4885POLB 2073/4885
US-20140194650-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 ALDH1A1 1568/4885NAAA 57/4885POLB 2073/4885

“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.