SCHEMBL4055987

SCHEMBL4055987

COc1ccc2c(c1)C(=O)CC(=O)CO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ABCB1 P08183 1/20 0.48
AR P10275 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
CYP19A1 P11511 2/20 0.47
KLK7 P49862 1/20 0.46
PPIB P23284 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL10963283 0.88 MAOB (0.52) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL172911 0.87 MAPT (0.63) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7304831 0.81 MAPT (0.56) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10962514 0.79 MMP12 (0.46) RAB9AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL428306 0.78 DRD2 (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL769313 0.78 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10964903 0.76 APP (0.50) MAPTTDP1ARCYP19A1CYP1A2
SCHEMBL10966821 0.76 FABP6 (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10962363 0.76 MAOB (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8029261 0.75 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
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
EP-0025109-B1 1-BENZOXEPIN-5(2H)-ONE DERIVATIVES AND THEIR SALTS, AND PROCESSES FOR THEIR PREPARATION Kali-Chemie Pharma GmbH (DE) 1985-05-15 EP disclosed
US-4320061-A ANTISPASMODIC AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1982-03-16 US disclosed
US-4279905-A GASTROINTESTINAL DISORDERS KALI-CHEMIE PHARMA GMBH (DE) 1981-07-21 US disclosed
EP-0025109-A2 1-Benzoxepin-5(2H)-one derivatives and their salts, and processes for their preparation Kali-Chemie Pharma GmbH (DE) 1981-03-18 EP 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 NPC1 2418/4885RAB9A 4576/4885KDM4E 1356/4885

“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.