SCHEMBL16396186

SCHEMBL16396186

COc1cccc(C(C)(C)c2cccc(C#N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.46
MCHR1 Q99705 1/20 0.41
AR P10275 2/20 0.41
PGR P06401 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SNCA P37840 1/20 0.39
ACHE P22303 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
CBX7 O95931 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KIF11 P52732 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL16395885 0.86 P4HB (0.45) P4HBMCHR1ARPGRRAB9A
SCHEMBL8408204 0.84 ACHE (0.52) RAB9AACHECES2CES1MAPK1
SCHEMBL103841 0.82 P4HB (0.55) P4HBMCHR1ARRAB9ASNCA
SCHEMBL30083320 0.82 P4HB (0.55) P4HBMCHR1ARRAB9ASNCA
SCHEMBL16396076 0.79 EPAS1 (0.45) PGRKIF11PDE4APDE4CPDE4D
SCHEMBL16395760 0.77 KIF11 (0.47) MAPK1KIF11CYP3A4
SCHEMBL16396085 0.77 ESR1 (0.50) P4HBARHSD17B10KIF11CA2
SCHEMBL1007659 0.76 ACHE (0.44) ARPGRRAB9AACHECES2
SCHEMBL7446928 0.76 PGR (0.55) P4HBARPGRABCG2ALDH1A1
SCHEMBL921247 0.76 SMN1; SMN2 (0.53) P4HBMCHR1ARRAB9ASNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A P4HB 704/4885MCHR1 3105/4885AR 1643/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A P4HB 704/4885MCHR1 3105/4885AR 1643/4885

“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.