SCHEMBL20095342

SCHEMBL20095342

C=CCOc1cc(CI)ccc1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
ALOX5 P09917 2/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 4/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 3/20 0.42
CYP2D6 P10635 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
CFD P00746 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 2/20 0.40
RAB9A P51151 1/20 0.39
PDE4B Q07343 1/20 0.38

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
SCHEMBL20095343 0.87 PTGS1 (0.58) PTGS1ALOX5LMNAKMT2AMAPT
SCHEMBL810128 0.80 PTGS1 (0.51) PTGS1ALOX5LMNAKMT2AMAPT
SCHEMBL24201975 0.79 PTGS1 (0.48) PTGS1MAPTKDM4EALDH1A1GAA
SCHEMBL20089609 0.78 PTGS1 (0.44) PTGS1ALOX5KDM4EALDH1A1GAA
SCHEMBL9749313 0.77 LIG1 (0.54) PTGS1LMNAKMT2AKDM4EALDH1A1
SCHEMBL11891610 0.76 PTGS1 (0.85) PTGS1ALOX5LMNAKMT2AMAPT
SCHEMBL11716714 0.75 AKR1C3 (0.57) ALOX5LMNAKMT2AKDM4EALDH1A1
SCHEMBL11716703 0.75 AKR1C3 (0.57) ALOX5LMNAKMT2AKDM4EALDH1A1
SCHEMBL6691655 0.74 GAA (0.61) PTGS1ALOX5LMNAKMT2AMAPT
SCHEMBL6686762 0.74 KDM4E (0.47) PTGS1ALOX5LMNAMAPTKDM4E

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
EP-3315126-B1 CONJUGATE OF POLYETHYLENE GLYCOL AND ANESTHETIC, AND PREPARATION METHOD THEREOF JENKEM TECH CO LTD TIANJIN (CN) 2022-01-19 EP disclosed
EP-3563873-A1 APPLICATION OF COMBINATION OF POLYETHYLENE GLYCOL AND LOCAL ANESTHETIC IN NON-NARCOTIC ANALGESIA Jenkem Technology Co., Ltd. (Tianjin) (CN) 2019-11-06 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 PTGS1 248/4885ALOX5 1640/4885LMNA 3588/4885

“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.