SCHEMBL110599

SCHEMBL110599

CCOC(=O)/C=C(\C)c1ccc(C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 3/20 0.40
POLB P06746 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 4/20 0.39
PKM P14618 1/20 0.39
GALK1 P51570 1/20 0.39
CCR6 P51684 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL10831173 0.83 CA12 (0.61) F2PLGPRSS1NPSR1RAB9A
SCHEMBL4509545 0.82 NPSR1 (0.42) F2PLGPRSS1NPSR1RAB9A
SCHEMBL7626117 0.82 NPSR1 (0.42) F2PLGPRSS1NPSR1RAB9A
SCHEMBL12883157 0.81 MAPT (0.45) F2PLGPRSS1SMN1; SMN2HTT
SCHEMBL26845457 0.81 MAPT (0.45) F2PLGPRSS1SMN1; SMN2HTT
SCHEMBL14499482 0.81 MAPT (0.45) F2PLGPRSS1SMN1; SMN2HTT
SCHEMBL4154993 0.81 TSHR (0.46) F2PLGPRSS1SMN1; SMN2HTT
SCHEMBL4154989 0.81 TSHR (0.46) F2PLGPRSS1SMN1; SMN2HTT
SCHEMBL4154987 0.81 TSHR (0.46) F2PLGPRSS1SMN1; SMN2HTT
SCHEMBL10611123 0.80 MAPK1 (0.52) SMN1; SMN2POLBKDM4EALDH1A1MAPT

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 F2 1077/4885PLG 1451/4885PRSS1 2790/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF F2 1077/4885PLG 1451/4885PRSS1 2790/4885

“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.