SCHEMBL4557085

SCHEMBL4557085

CCc1ccc(CC2CCCC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.60
PTGS1 P23219 10/20 0.60
OPRK1 P41145 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
LMNA P02545 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
SCHEMBL29169517 1.00 PTGS2 (0.60) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2760385 0.86 PTGS2 (0.60) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL28547422 0.82 PTGS2 (0.53) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL1784163 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2049346 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL7623394 0.82 NPC1 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169558 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9166295 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL22211304 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL12645998 0.82 PTGS2 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same WUXI HONGRUI BIO-PHARMA-TECH CO., LTD . (CN) 2012-05-10 US disclosed
US-4618617-A ANTIINFLAMMATORY, ANALGESIC AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-10-21 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-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same HTRA2, CYP27A1, ALOX15 PTGS2 115/4885PTGS1 31/4885OPRK1 251/4885

“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.