SCHEMBL11706153

SCHEMBL11706153

CC1=CC(=O)C(C(C)C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.40
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL14668228 0.86 KDM4E (0.32) —
SCHEMBL14668233 0.85 THRB (0.36) —
(-)-Piperitone SCHEMBL1248697 0.80 TLR4 (0.40) TLR4
Piperitone SCHEMBL111913 0.80 TLR4 (0.40) TLR4
SCHEMBL11458638 0.78 ACE (0.39) ACETSHRPTGS1PTGS2OPRK1
SCHEMBL11702706 0.72 ACE (0.35) ACE
SCHEMBL31391968 0.71 TAS2R46 (0.41) PPARATLR4TSHRMAPTPTGS2
SCHEMBL11703281 0.70 ACE (0.41) ACETSHR
Piperitone SCHEMBL14763689 0.69 PTPN2 (0.35) TLR4
SCHEMBL17530030 0.67 ACE (0.51) ACETSHRMAPTPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 — — US disclosed
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 — — US disclosed
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 — — US disclosed
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 — — US disclosed
US-8481759-B2 Process for producing wine lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 — — US disclosed
US-8481759-B2 Process for producing wine lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 — — US disclosed
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION 2013-01-31 — — US disclosed
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION 2013-01-31 — — US disclosed
US-4008270-A Process for preparing 2-(substituted phenyl)propionic acids THE UPJOHN COMPANY (US) 1977-02-15 — — 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 (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-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA ACE 3156/4885PPARG 1124/4885PPARA 874/4885
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA ACE 3156/4885PPARG 1124/4885PPARA 874/4885
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA ACE 3156/4885PPARG 1124/4885PPARA 874/4885

“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.

Send feedback