SCHEMBL110009

SCHEMBL110009

Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
TP53 P04637 2/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 2/20 0.61
HIF1A Q16665 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ABCC4 O15439 1/20 0.61
HPGDS O60760 1/20 0.61
ABCB11 O95342 1/20 0.61
PKM P14618 1/20 0.61
ALOX12 P18054 1/20 0.61

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
SCHEMBL16272300 0.91 MEN1 (0.61) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15396797 0.88 TRPA1 (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8847765 0.87 TRPA1 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2779401 0.87 MEN1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL110012 0.87 MEN1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16272299 0.85 TRPA1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2780473 0.84 TRPA1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2780472 0.84 TRPA1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12723664 0.84 TRPA1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15396458 0.83 TRPA1 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-9839640-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2017-12-12 US disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION FIBROTECH THERAPEUTICS PTY LTD (AU) 2013-11-21 US disclosed
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS THE UNIVERSITY OF MELBOURNE (AU) 2012-03-08 US disclosed
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-01-27 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 (6 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-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MEN1 3939/4885KMT2A 2447/4885NPC1 4173/4885
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MEN1 3939/4885KMT2A 2447/4885NPC1 4173/4885
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF MEN1 3475/4885KMT2A 3218/4885NPC1 1501/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MEN1 3939/4885KMT2A 2447/4885NPC1 4173/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MEN1 3939/4885KMT2A 2447/4885NPC1 4173/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF MEN1 3475/4885KMT2A 3218/4885NPC1 1501/4885

“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.