SCHEMBL964300

SCHEMBL964300

CCOC(=O)/C=C/c1c(C(F)(F)F)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.35
CCNC P24863 3/20 0.35
CDK8 P49336 3/20 0.35
PDE5A O76074 1/20 0.34
MTNR1A P48039 1/20 0.34
ALOX15 P16050 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
ELANE P08246 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ZAP70 P43403 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 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
SCHEMBL962300 0.88 LMNA (0.38) ALDH1A1LMNACCNCCDK8PDE5A
SCHEMBL962638 0.87 ELANE (0.36) KDM4EALDH1A1LMNAMTNR1ASLC22A12
SCHEMBL962639 0.87 ELANE (0.36) KDM4EALDH1A1LMNAMTNR1ASLC22A12
SCHEMBL966214 0.86 LMNA (0.36) LMNACCNCCDK8PDE5AMTNR1A
SCHEMBL962786 0.83 LMNA (0.35) ALDH1A1LMNACCNCCDK8PDE5A
SCHEMBL964136 0.81 HDAC3 (0.36) ALDH1A1MTNR1ACYP1A2HDAC3HDAC4
SCHEMBL964138 0.81 HDAC3 (0.36) ALDH1A1MTNR1ACYP1A2HDAC3HDAC4
SCHEMBL964593 0.80 KDM4E (0.37) KDM4EALDH1A1LMNAMTNR1ASLC22A12
SCHEMBL965072 0.80 PPARG (0.39) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL965074 0.80 PPARG (0.39) MTNR1AHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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 (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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG KDM4E 1776/4885ALDH1A1 821/4885HPGD 378/4885

“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.