SCHEMBL142116

SCHEMBL142116

O=C(O)/C=C/c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.59
ALDH1A1 P00352 5/20 0.59
HSD17B10 Q99714 4/20 0.59
HPGD P15428 3/20 0.59
MAPK1 P28482 2/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA3 P07451 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
SNCA P37840 2/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL17124825 0.88 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL7353686 0.83 PDE4B (0.61) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL7353680 0.83 PDE4B (0.61) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL141492 0.82 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL141491 0.82 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL25185073 0.81 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL30383432 0.81 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL8072698 0.79 HDAC1 (0.67) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL8072695 0.79 HDAC1 (0.67) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL1569059 0.78 THRB (0.61) KDM4EALDH1A1MAPK1ALOX15SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045170-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
EP-3045170-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2016-07-20 EP disclosed
EP-3045170-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2016-07-20 EP disclosed
EP-2220028-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2016-03-09 EP disclosed
EP-2220028-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2016-03-09 EP disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 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
EP-2220028-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2010-08-25 EP disclosed
WO-2009079692-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2009-07-02 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 (2 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-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF KDM4E 1397/4885ALDH1A1 242/4885HSD17B10 1783/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF KDM4E 1397/4885ALDH1A1 242/4885HSD17B10 1783/4885

“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.