SCHEMBL4692586

SCHEMBL4692586

Oc1ccc2c(c1)C=CC=CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
XDH P47989 1/20 0.41
CYP3A4 P08684 1/20 0.36
CA5A P35218 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALPG P10696 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6896579 0.74 ALDH1A1 (0.43) CA2CA12CA1CA9PTGS2
SCHEMBL5807597 0.72 CA12 (0.49) CA12CA9PTGS2
SCHEMBL448708 0.70 KDM4E (0.35) MAPTLMNAMEN1KMT2ATRPA1
Methane SCHEMBL28958627 0.68 KDM4E (0.34) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL3519164 0.65
SCHEMBL5270617 0.64 CA2 (0.44) CA2CA12CA1CA9PTGS1
SCHEMBL1192912 0.64 CYP3A4 (0.45) CA2CA12CA1CA9PTGS1
SCHEMBL29790627 0.64 CYP3A4 (0.45) CA2CA12CA1CA9PTGS1
SCHEMBL3519162 0.64
SCHEMBL4735618 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 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-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LTA4H, LTC4S, LTB4R2 CA2 2141/4885CA12 3938/4885CA1 2320/4885

“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.