SCHEMBL793526

SCHEMBL793526

O=C1CCCC1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.59
PTGS1 P23219 7/20 0.59
OPRK1 P41145 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
HSD11B1 P28845 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP19A1 P11511 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
SCHEMBL23056654 1.00 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169544 1.00 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169546 0.94 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL4595 0.94 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9790769 0.94 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL7338783 0.93 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL225031 0.93 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9144882 0.90 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29016897 0.88 DDB1 (0.61) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9145459 0.86 PTGS2 (0.54) 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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720408-A Continuous flow preparation method of 2-benzyl cyclopentanone 复旦大学 2024-03-19 CN claimed
CN-116042000-B Coated controlled release fertilizer utilizing visible light to solidify aquatic wastes and preparation method thereof 山东农业大学 2023-11-28 CN claimed
CN-116042000-A Coated controlled release fertilizer utilizing visible light to solidify aquatic wastes and preparation method thereof 山东农业大学 2023-05-02 CN claimed
CN-218689407-U 2- [4- (2-chloropropionyl) benzyl ] cyclopentanone production device 无棣融川医药化工科技有限公司 2023-03-24 CN claimed
CN-218306215-U Production device of 2-benzyl cyclopentanone product 无棣融川医药化工科技有限公司 2023-01-17 CN claimed
CN-113387787-A Synthesis method of 2-benzyl cyclopentanone 杭州国瑞生物科技有限公司 2021-09-14 CN claimed
WO-2012036822-A1 PHENOL AND CYCLOHEXANONE MIXTURES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO claimed
JP-9323954-A None JP disclosed
CN-117720503-A Continuous flow preparation method for catalyzing ketal reaction by strongly acidic ion resin 复旦大学 2024-03-19 CN disclosed
CN-117720408-A Continuous flow preparation method of 2-benzyl cyclopentanone 复旦大学 2024-03-19 CN disclosed
CN-117720408-A Continuous flow preparation method of 2-benzyl cyclopentanone 复旦大学 2024-03-19 CN disclosed
CN-117720408-A Continuous flow preparation method of 2-benzyl cyclopentanone 复旦大学 2024-03-19 CN 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
WO-2011100013-A1 HYDROGENATION PROCESS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-08-18 WO disclosed
US-20110124877-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF KUREHA CORPORATION (JP) 2011-05-26 US disclosed
EP-1103255-B1 METHOD OF REARING AND FEEDS TAKARA BIO INC (JP) 2007-05-02 EP disclosed
WO-2001017977-A1 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-03-15 WO disclosed
JP-H09323954-A PRODUCTION OF (+-) 2-(4-(2-OXOCYCLOPENTYLMETHYL) PHENYL) PROPIONIC ACID AND ITS SALT CHEMI SPA 1997-12-16 JP disclosed
US-5281622-A Administering to mammals as antiinflammatory agent UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1994-01-25 US disclosed
US-5250735-A Antitumor or antiinflammatory agents, analgesics UNIVERSITY OF PITTSBURGH (US) 1993-10-05 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-20110124877-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF CYP8B1, CBR3, CBR1 PTGS2 1120/4885PTGS1 1320/4885OPRK1 4117/4885

“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.