SCHEMBL112198

SCHEMBL112198

CC#CCOc1cc(/C=C/C(=O)O)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RECQL P46063 1/20 0.48
SNCA P37840 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
PKM P14618 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CSNK2B P67870 1/20 0.48

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
SCHEMBL141492 0.82 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL141491 0.82 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL110052 0.80 PDE4B (0.46) ALDH1A1SMN1; SMN2HPGDMAPK1RECQL
SCHEMBL15396502 0.80 TRPA1 (0.62) KDM4EALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL1204551 0.77 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL1204552 0.77 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL22991978 0.75 PDE4B (0.79) PDE4B
SCHEMBL28560586 0.73 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL584596 0.71 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL111230 0.71 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 242/4885SMN1; SMN2 3090/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF KDM4E 1397/4885ALDH1A1 242/4885SMN1; SMN2 3090/4885

“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.