SCHEMBL6780080

SCHEMBL6780080

CCOC(=O)C(C)(CC)Oc1ccc(C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.65
FBP1 P09467 3/20 0.49
PPARA Q07869 3/20 0.49
CYP1A2 P05177 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
PMP22 Q01453 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11785145 0.87 OPRK1 (0.49) OPRK1FBP1PPARACYP1A2ABCB11
SCHEMBL814688 0.85 PPARA (0.68) OPRK1FBP1PPARACYP1A2ABCB11
SCHEMBL22238907 0.84 OPRK1 (0.68) OPRK1FBP1PPARACYP1A2ABCB11
SCHEMBL2558556 0.83 ADORA3 (0.56) OPRK1PPARACYP1A2CYP3A4ALDH1A1
SCHEMBL4874274 0.83 OPRK1 (0.66) OPRK1FBP1PPARACYP1A2ABCB11
SCHEMBL14254639 0.82 OPRK1 (0.64) OPRK1FBP1PPARACYP1A2ABCB11
SCHEMBL1935420 0.82 OPRK1 (0.86) OPRK1FBP1PPARACYP1A2ABCB11
SCHEMBL11358611 0.81 OPRK1 (0.63) OPRK1PPARACYP1A2ABCB11CYP3A4
SCHEMBL3996490 0.81 OPRK1 (0.51) OPRK1FBP1PPARACYP1A2ABCB11
SCHEMBL11068228 0.80 OPRK1 (0.78) OPRK1PPARACYP1A2ABCB11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 WO disclosed
US-3994955-A Substituted phenoxydialkylacetic acids and esters G. D. SEARLE & CO. (US) 1976-11-30 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG OPRK1 1248/4885FBP1 1190/4885PPARA 1/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG OPRK1 1070/4885FBP1 918/4885PPARA 2/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG OPRK1 1070/4885FBP1 918/4885PPARA 2/4885

“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.