SCHEMBL4316249

SCHEMBL4316249

C=CCc1ccc(C(N)=O)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 4/20 0.36
JAK3 P52333 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
HSD17B10 Q99714 4/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NNMT P40261 1/20 0.33
POLB P06746 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TEC P42680 1/20 0.32
TXK P42681 1/20 0.32

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
SCHEMBL4558591 0.80 GABRA1 (0.36) MAPK1KDM4EHSD17B10GABRA1GABRB2
SCHEMBL10911271 0.79 MAPK1 (0.37) MAPK1KDM4EHSD17B10GABRA1GABRB2
SCHEMBL1018603 0.77 NNMT (0.47) MAPK1KDM4EHSD17B10MEN1KMT2A
SCHEMBL29889389 0.77 NNMT (0.47) MAPK1KDM4EHSD17B10MEN1KMT2A
SCHEMBL27377658 0.77 NNMT (0.36) KDM4EHSD17B10KMT2ANNMTSIRT3
Ammonia Solution, Strong SCHEMBL6013986 0.75 CES2 (0.41) MEN1KMT2ATDP1ALDH1A1
SCHEMBL27544857 0.75 GABRA1 (0.36) MAPK1KDM4EHSD17B10GABRA1GABRB2
SCHEMBL7738384 0.75 SRC (0.45) MAPK1GABRA1GABRB2MEN1KMT2A
SCHEMBL486060 0.75 GABRA1 (0.40) MAPK1KDM4EJAK3JAK1TYK2
SCHEMBL9764452 0.75 KDM4E (0.36) MAPK1KDM4EJAK3JAK1TYK2

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-9180209-B2 Non-peptidic quenched fluorescent imaging probes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-11-10 US disclosed
US-20140140930-A1 NON-PEPTIDIC QUENCHED FLUORESCENT IMAGING PROBES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-05-22 US disclosed
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 US disclosed
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP 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-20140140930-A1 NON-PEPTIDIC QUENCHED FLUORESCENT IMAGING PROBES CTSZ, CTSS, CTSF MAPK1 988/4885KDM4E 1385/4885JAK3 3090/4885
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR MAPK1 875/4885KDM4E 1576/4885JAK3 3032/4885

“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.