SCHEMBL707315

SCHEMBL707315

O=Cc1ccc(Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.53
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 5/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 1/20 0.47
TTR P02766 1/20 0.46
ALDH1A1 P00352 6/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
4-Hydroxybenzaldehyde SCHEMBL28715730 0.91 CTNNB1 (0.51) CTNNB1HTTNPC1CYP2C9RAB9A
SCHEMBL7971640 0.88 CTNNB1 (0.44) CTNNB1HTTNPC1CYP2C9RAB9A
SCHEMBL28411450 0.88 CTNNB1 (0.66) CTNNB1HTTCYP2C9RAB9AKDM4E
SCHEMBL11574074 0.85 CTNNB1 (0.51) CTNNB1HTTRAB9AKDM4EHPGD
SCHEMBL2562259 0.85 CTNNB1 (0.70) CTNNB1HTTCYP2C9KDM4EMAPT
SCHEMBL13599494 0.85 CTNNB1 (0.47) CTNNB1HTTCYP2C9RAB9AKDM4E
SCHEMBL9664968 0.84 CTNNB1 (0.47) CTNNB1RAB9AKDM4EMAPTKMT2A
SCHEMBL9252102 0.84 CTNNB1 (0.67) CTNNB1HTTRAB9ANPSR1KDM4E
SCHEMBL1798 0.84 CTNNB1 (0.71) CTNNB1HTTRAB9ANPSR1KDM4E
SCHEMBL7537752 0.83 TTR (0.50) NPC1CYP2C9RAB9ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
EP-0630888-B1 IMIDAZOLINE DERIVATIVE, PRODUCTION THEREOF, AND BLOOD PRESSURE RETENTIVE MAEDA HIROSHI (JP) 2001-04-04 EP disclosed
US-5464857-A Smooth muscle relaxants and removal of nitrogen oxides HIROSHI MAEDA (JP) 1995-11-07 US disclosed
EP-0630888-A1 IMIDAZOLINE DERIVATIVE, PRODUCTION THEREOF, AND BLOOD PRESSURE RETENTIVE Maeda, Hiroshi (JP) 1994-12-28 EP disclosed
US-4900865-A Method for producing a di-(mono- or poly-)carboxyaryl ether AMOCO CORPORATION (US) 1990-02-13 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 (4 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 CTNNB1 2960/4885HTT 2649/4885NPC1 226/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 CTNNB1 2960/4885HTT 2649/4885NPC1 226/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 CTNNB1 2960/4885HTT 2649/4885NPC1 226/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 CTNNB1 2960/4885HTT 2649/4885NPC1 226/4885

“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.