SCHEMBL57366

SCHEMBL57366

COc1cc(CO)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 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
SCHEMBL17414538 0.86 MEN1 (0.44) RXRAMRGPRX4RAB9AKDM4ENPC1
SCHEMBL17930472 0.85 CYP4F2 (0.45) SMN1; SMN2RAB9AKDM4ENPC1POLB
SCHEMBL27999944 0.85 RXRA (0.47) RXRACA1CA2SMN1; SMN2MRGPRX4
SCHEMBL12480647 0.84 RXRA (0.46) RXRACA1CA2SMN1; SMN2MRGPRX4
SCHEMBL31371222 0.84 CA1 (0.48) CA1CA2SMN1; SMN2RAB9ANFKB1
SCHEMBL2255610 0.84 CA1 (0.48) CA1CA2SMN1; SMN2RAB9ANFKB1
SCHEMBL5270681 0.84 CA1 (0.47) RXRACA1CA2SMN1; SMN2MRGPRX4
SCHEMBL16603724 0.84 DAO (0.42) SMN1; SMN2MRGPRX4PKMRAB9ATP53
3,5-Dimethoxybenzoic Acid SCHEMBL11236187 0.82 RXRA (0.56) RXRACA1CA2MRGPRX4PKM
SCHEMBL3547435 0.82 PLA2G2A (0.46) RXRACA1CA2SMN1; SMN2MRGPRX4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326930-B2 Calcium sequestration compositions and methods of treating skin pigmentation disorders and conditions NEOCUTIS S.A. (CH) 2016-05-03 US disclosed
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS NEOCUITIS S A (CH) 2016-02-04 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
EP-0949540-B1 Method for producing lithographic printing plate suitable for laser scan exposure, and photopolymerizable composition FUJIFILM CORP (JP) 2012-05-02 EP disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
EP-1888569-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
EP-1841740-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES Novartis AG (CH) 2007-10-10 EP disclosed
EP-1833816-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2007-09-19 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (3 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-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS S100A4, TYR, CACYBP RXRA 814/4885CA1 3488/4885CA2 9/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC RXRA 2621/4885CA1 1761/4885CA2 494/4885
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 RXRA 1360/4885CA1 2187/4885CA2 1447/4885

“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.