SCHEMBL2023219

SCHEMBL2023219

CCc1ccc(NC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.63
RAB9A P51151 7/20 0.61
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
NPC1 O15118 5/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56

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
SCHEMBL6326069 0.94 SRC (0.58) SRCRAB9AHDAC3HDAC4HDAC1
SCHEMBL4113855 0.86 RAB9A (0.79) SRCRAB9AHDAC3HDAC4HDAC1
SCHEMBL9613184 0.85 SRC (0.58) SRCRAB9AHDAC3HDAC4HDAC1
SCHEMBL2022898 0.85 POLB (0.57) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL155297 0.84 RAB9A (0.64) SRCRAB9AHDAC3HDAC4HDAC1
SCHEMBL5933551 0.84 SRC (0.61) SRCRAB9AHDAC3HDAC4HDAC1
SCHEMBL9312728 0.84 HDAC3 (0.66) SRCRAB9AHDAC3HDAC4HDAC1
SCHEMBL29092627 0.84 POLB (0.50) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2762349 0.84 POLB (0.62) SRCRAB9ANPC1KMT2AALDH1A1
SCHEMBL2019464 0.84 POLB (0.70) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
EP-3372579-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
EP-3536683-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2019-09-11 EP disclosed
US-10301417-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-05-28 US disclosed
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-11-13 US disclosed
EP-3372579-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2018-09-12 EP disclosed
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-10-19 US disclosed
EP-2593078-B1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE AG (DE) 2016-11-30 EP disclosed
US-9145358-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) 2015-09-29 US disclosed
EP-2915803-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2015-09-09 EP disclosed
EP-0111955-A1 Prostaglandin intermediates NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-06-27 EP disclosed
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US disclosed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP disclosed
US-4369141-A Process to improve isocyanate yield upon pyrolysis of a polyfunctional urethane which has been extracted with a combination of hydrochloric acid and alcohol ATLANTIC RICHFIELD COMPANY (US) 1983-01-18 US disclosed
EP-0043292-A2 Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1982-01-06 EP disclosed
US-4292254-A COSOLVENT, SOLVENT EXTRACTION, AQUEOUS ACID ATLANTIC RICHFIELD COMPANY (US) 1981-09-29 US disclosed
US-4290968-A REMOVAL OF AMINE BY-PRODUCTS WITH ION EXCHANGE RESINS ATLANTIC RICHFIELD COMPANY (US) 1981-09-22 US disclosed
US-4267353-A Preparation of aromatic urethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
US-4236016-A Process for the preparation of urethanes BAYER AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed
WO-1980001382-A1 SUBSTITUTED (2,2,1) HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF THROMBOXANE ACTIVITY JONES R (GB) 1980-07-10 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 (3 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-10301417-B2 Polyisocyanate composition and isocyanate polymer composition PAH, ALKBH1, ALKBH3 SRC 3223/4885RAB9A 4175/4885HDAC3 253/4885
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY SRC 1581/4885RAB9A 4633/4885HDAC3 48/4885
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition TST, SUDS3, SCLY SRC 1581/4885RAB9A 4633/4885HDAC3 48/4885

“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.