SCHEMBL18286244

SCHEMBL18286244

Cc1cccc(C(C)(C)COCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
KIF11 P52732 4/20 0.42
LMNA P02545 1/20 0.41
PTGIR P43119 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL18286173 0.84 LMNA (0.39) KIF11LMNAMEN1HPGDKMT2A
SCHEMBL3887176 0.83 CYP2C19 (0.50) CYP2C19HIF1ASMN1; SMN2CYP3A4KMT2A
SCHEMBL15678398 0.80 CYP2C19 (0.52) KIF11LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL25758756 0.73 CTSL (0.43) KIF11LMNATSHRCYP2C19SMN1; SMN2
SCHEMBL9911069 0.72 IDO1 (0.53) FFAR1CYP3A4MEN1KMT2A
SCHEMBL1698139 0.72 CNR1 (0.50) KIF11LMNACYP2C19CYP3A4CYP2D6
SCHEMBL7039820 0.72 ACHE (0.44) KIF11LMNACYP2C19CYP3A4CYP2D6
Toluene SCHEMBL29913501 0.72 TSHR (0.50) FFAR1LMNAPTGIRPTGDR2TSHR
SCHEMBL7908308 0.71 LMNA (0.43) KIF11LMNACYP2C19CYP3A4CYP2D6
SCHEMBL1653535 0.71 KIF11 (0.45) KIF11LMNACYP2C19SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
EP-3302468-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE The Scripps Research Institute (US) 2018-04-11 EP disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 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-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 FFAR1 2508/4885KIF11 3603/4885LMNA 1366/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 FFAR1 2508/4885KIF11 3603/4885LMNA 1366/4885

“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.