SCHEMBL6550292

SCHEMBL6550292

CC(=O)Oc1ccccc1C(=O)OCCCCCCCCBr

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.67
TSHR P16473 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
HPGD P15428 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL27458942 0.94 PTGS2 (0.66) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL12715080 0.93 PTGS2 (0.75) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL9446603 0.93 PTGS2 (0.75) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL11327527 0.90 PTGS2 (0.71) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL554336 0.90 PTGS2 (0.58) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL28484732 0.88 PTGS2 (0.61) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL11985699 0.88 PTGS2 (0.72) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL11314352 0.87 ALDH1A1 (0.72) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL4728775 0.87 ALDH1A1 (0.72) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL4728781 0.87 ALDH1A1 (0.72) PTGS2TSHRALDH1A1LMNAKDM4E

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-1385824-A2 COMPOUNDS CO-INDUCING CHOLINERGIC UP-REGULATION AND INFLAMMATION DOWN-REGULATION AND USES THEREOF ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2004-02-04 EP disclosed
US-20020160988-A1 Compounds co-inducing cholinergic up-regulation and inflammation down-regulation and uses thereof ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2002-10-31 US disclosed
WO-2002065977-A2 COMPOUNDS CO-INDUCING CHOLINERGIC UP-REGULATION AND INFLAMMATION DOWN-REGULATION AND USES THEREOF ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2002-08-29 WO 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-20020160988-A1 Compounds co-inducing cholinergic up-regulation and inflammation down-regulation and uses thereof CHAT, ACHE, CHRNB2 PTGS2 65/4885TSHR 1759/4885ALDH1A1 1351/4885

“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.