SCHEMBL14723243

SCHEMBL14723243

Cc1nn(C2CCCCO2)c2cccc(COC(N)=O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.37
CYP4A11 Q02928 4/20 0.37
RET P07949 4/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
AOC3 Q16853 1/20 0.33
ELANE P08246 1/20 0.32
ACVR1 Q04771 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14723565 0.84 GAA (0.41) CYP4F2CYP4A11RETGAAALDH1A1
SCHEMBL15208830 0.81 RXRA (0.38) CYP4F2CYP4A11GAAALDH1A1KDM4E
SCHEMBL14722638 0.80 CYP4F2 (0.35) CYP4F2CYP4A11RETGAAALDH1A1
SCHEMBL30950290 0.78 CYP4F2 (0.41) CYP4F2CYP4A11RETGAADGAT2
SCHEMBL15208344 0.78 HTR2C (0.43) CYP4F2CYP4A11GAADGAT2RXRA
Ammonia Solution, Strong SCHEMBL28811804 0.77 GAA (0.42) CYP4F2CYP4A11RETGAAALDH1A1
SCHEMBL29950914 0.76 GAA (0.40) CYP4F2CYP4A11RETGAAALDH1A1
SCHEMBL30861031 0.76 GAA (0.44) CYP4F2CYP4A11RETGAAALDH1A1
SCHEMBL27227964 0.76 GAA (0.44) CYP4F2CYP4A11RETGAAALDH1A1
SCHEMBL27227929 0.75 RXRA (0.38) CYP4F2CYP4A11GAAALDH1A1HSD17B10

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
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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 (1 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 CYP4F2 4881/4885CYP4A11 4771/4885RET 97/4885

“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.