SCHEMBL4595

SCHEMBL4595

O=C1CCCCC1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.57
PTGS1 P23219 4/20 0.57
OPRK1 P41145 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.54
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
HSD11B1 P28845 1/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
MCL1 Q07820 1/20 0.46
MT-CO2 P00403 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9790769 1.00 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169546 1.00 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL7338783 0.98 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL225031 0.98 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL23056654 0.94 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL793526 0.94 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169544 0.94 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9145459 0.91 PTGS2 (0.54) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9144882 0.88 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29016897 0.86 DDB1 (0.61) PTGS2PTGS1OPRK1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417245-A Method for synthesizing ketoprofen through pyrolytic aromatization reaction 复旦大学 2024-01-19 CN claimed
CN-116043244-A Method for preparing alpha, beta-unsaturated ketone by electrocatalytic oxidation of alcohol 北京化工大学 2023-05-02 CN claimed
CN-107365986-B A kind of chemical tin inorganic agent and the tin plating technique using the chemical tin inorganic agent 东莞市富默克化工有限公司 2019-08-09 CN claimed
CN-105969329-B A kind of hypertonic very poor low fingering noresidue acidifying solution of low permeability reservoir man-made fracture and preparation method thereof 宁夏朔光石油科技有限公司 2019-01-29 CN claimed
CN-107365986-A A kind of tin plating technique of chemical tin inorganic agent and application the chemical tin inorganic agent 东莞市富默克化工有限公司 2017-11-21 CN claimed
EP-1152006-A2 Tetrahydrofluorenyl containing group 4 metallocenes useful as catalysts for the polymerization of olefins, process for their preparation and use of said metallocenes for the polymerization of ofelins SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 2001-11-07 EP claimed
CN-116832869-B Magnetic nano bimetallic catalyst and preparation method and catalytic application thereof 河北师范大学 2025-05-13 CN disclosed
EP-4069366-B1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2025-03-19 EP disclosed
CN-117701516-A Alkene reductase, enzyme preparation, nucleic acid, expression vector, preparation method and application 河北工业大学 2024-03-15 CN disclosed
CN-117417245-A Method for synthesizing ketoprofen through pyrolytic aromatization reaction 复旦大学 2024-01-19 CN disclosed
CN-117417245-A Method for synthesizing ketoprofen through pyrolytic aromatization reaction 复旦大学 2024-01-19 CN disclosed
CN-116832869-A Magnetic nano bimetallic catalyst and preparation method and catalytic application thereof 河北师范大学 2023-10-03 CN disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-5057513-A Platelet activating factor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-15 US disclosed
EP-0399424-A1 Thiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-11-28 EP disclosed
EP-0085811-B1 2-(PHENYLMETHYLENE)CYCLOALKYLAMINES THE UPJOHN COMPANY (US) 1986-05-07 EP disclosed
US-4587261-A FATTENING AGENTS FOR ANIMALS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1986-05-06 US disclosed
US-4540690-A ANALGESICS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1985-09-10 US disclosed
US-4221788-A 2-(Optionally-substituted)benzylperhydroazepines for analgesia and lowering blood pressure BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-09-09 US disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 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 (1 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 PTGS2 3421/4885PTGS1 3244/4885OPRK1 4159/4885

“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.