SCHEMBL20095259

SCHEMBL20095259

BCc1ccc(OC(C)=O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.49
GAA P10253 2/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
PTGS1 P23219 1/20 0.44
PIM1 P11309 1/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
AKT1 P31749 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL17254145 0.84 CYP4F2 (0.63) CFDGAACYP4F2CYP4A11PTGS1
SCHEMBL28092167 0.83 CFD (0.49) CFDGAACYP4F2CYP4A11PTGS1
SCHEMBL19663053 0.83 CFD (0.53) CFDGAACYP4F2CYP4A11PTGS1
SCHEMBL24201934 0.83 CFD (0.49) CFDGAACYP4F2CYP4A11PTGS1
SCHEMBL20117542 0.81 PTGS1 (0.66) CFDCYP4F2CYP4A11PTGS1TSHR
SCHEMBL17253836 0.81 CYP3A4 (0.50) CFDGAACYP4F2CYP4A11PTGS1
SCHEMBL17253834 0.81 GAA (0.52) CFDGAACYP4F2CYP4A11PTGS1
SCHEMBL20095270 0.81 ALOX15 (0.55) GAACYP3A4ALOX15ALOX12TUBB1
SCHEMBL17253828 0.80 APP (0.50) CFDGAACYP4F2CYP4A11PTGS1
SCHEMBL27316147 0.80 ALOX15 (0.53) CFDGAACYP4F2CYP4A11PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315126-B1 CONJUGATE OF POLYETHYLENE GLYCOL AND ANESTHETIC, AND PREPARATION METHOD THEREOF JENKEM TECH CO LTD TIANJIN (CN) 2022-01-19 EP disclosed
US-20180110867-A1 CONJUGATE OF POLYETHYLENE GLYCOL AND ANESTHETIC, AND PREPARATION METHOD THEREOF JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2018-04-26 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-20180110867-A1 CONJUGATE OF POLYETHYLENE GLYCOL AND ANESTHETIC, AND PREPARATION METHOD THEREOF OPRL1, OGFR, F12 CFD 3298/4885GAA 3765/4885CYP4F2 1605/4885

“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.