SCHEMBL111301

SCHEMBL111301

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
TBXAS1 P24557 3/20 0.50
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42

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
Hydrochloric Acid SCHEMBL6786928 0.98 TBXAS1 (0.52) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL7705035 0.86 HTT (0.48) CES2CES1TBXAS1HTTSMN1; SMN2
SCHEMBL6933705 0.84 NR4A1 (0.47) NR4A1NR4A2NR4A3TBXAS1SMN1; SMN2
SCHEMBL3203900 0.84 HDAC1 (0.53) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL2572494 0.84 HDAC1 (0.53) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL6786926 0.83 SMN1; SMN2 (0.46) CES2CES1TBXAS1HTTSMN1; SMN2
SCHEMBL7666975 0.81 TBXAS1 (0.45) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL7666969 0.81 TBXAS1 (0.45) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL7666971 0.81 TBXAS1 (0.45) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL2477102 0.80 S1PR3 (0.45) NR4A1NR4A2NR4A3TBXAS1PRSS1

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 CES2 705/4885CES1 568/4885NR4A1 1801/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF CES2 705/4885CES1 568/4885NR4A1 1801/4885

“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.