SCHEMBL4102344

SCHEMBL4102344

CCOC(=O)CC1CCC(C)=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
KMT2A Q03164 2/20 0.38
HSD17B1 P14061 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
NLRP3 Q96P20 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL9734851 0.82 POLB (0.36) CYP11B1CYP11B2KMT2AHSD17B1CYP2D6
SCHEMBL9733870 0.82 NPC1 (0.48) CYP11B1CYP11B2KMT2ACYP1A2NPC1
SCHEMBL9737121 0.76 ALDH1A1 (0.40) KMT2AHSD17B1CYP2D6CYP1A2POLB
SCHEMBL13845754 0.75 NPC1 (0.37) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL17902676 0.74 CYP2D6 (0.40) CYP11B1CYP11B2KMT2AHSD17B1CYP2D6
SCHEMBL1254599 0.73 CYP2D6 (0.49) CYP11B1CYP11B2KMT2AHSD17B1CYP2D6
SCHEMBL17694177 0.73 KMT2A (0.40) CYP11B1CYP11B2KMT2AHSD17B1CYP2D6
SCHEMBL534241 0.72 CYP2D6 (0.55) CYP11B1CYP11B2KMT2ACYP2D6POLB
SCHEMBL11241585 0.72 CYP2D6 (0.55) CYP11B1CYP11B2KMT2ACYP2D6POLB
SCHEMBL8344022 0.72 NPC1 (0.53) NPC1CASP3RAB9ASENP8NLRP3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone SAN-EI GEN F.F.I. INC. (JP) 2009-05-07 US disclosed
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone SAN-EI GEN F.F.I. INC. (JP) 2009-05-07 US disclosed
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone SAN-EI GEN F.F.I. INC. (JP) 2009-05-07 US disclosed
US-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions MERCK SHARP & DOHME LTD. (GB) 2008-06-26 US disclosed
EP-1787975-A1 PROCESSES FOR PRODUCTION OF WINE LACTONE AND ITS INTERMEDIATES AND APPLICATION OF THE LACTONE SAN-EI GEN F.F.I., INC. (JP) 2007-05-23 EP disclosed
US-5137035-A With combustible filler of natural tobacco, reconstituted tobacco or tobacco substitutes PHILIP MORRIS INCORPORATED (US) 1992-08-11 US disclosed
US-5114493-A Smoking compositions containing a hexahydrobenzofuranone flavorant PHILIP MORRIS INC. (US) 1992-05-19 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 (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-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions PSEN1, PSEN2, APP CYP11B1 295/4885CYP11B2 320/4885KMT2A 4062/4885
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone DCXR, COASY, AKR7A2 CYP11B1 83/4885CYP11B2 162/4885KMT2A 1888/4885

“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.