SCHEMBL962300

SCHEMBL962300

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
MTNR1A P48039 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PDE5A O76074 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL966214 0.89 LMNA (0.36) LMNACCNCCDK8MTNR1ASLC22A12
SCHEMBL964300 0.88 KDM4E (0.38) LMNACCNCCDK8MTNR1ASLC22A12
SCHEMBL962786 0.87 LMNA (0.35) LMNACCNCCDK8MTNR1ASLC22A12
SCHEMBL965190 0.86 ALDH1A1 (0.47) MTNR1ASLC22A12RAB9ANPC1SMN1; SMN2
SCHEMBL965188 0.86 ALDH1A1 (0.47) MTNR1ASLC22A12RAB9ANPC1SMN1; SMN2
SCHEMBL966303 0.85 CCNC (0.38) LMNACCNCCDK8RAB9ANPC1
SCHEMBL962641 0.85 POLB (0.45) LMNARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL963203 0.85 PHGDH (0.41) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL964989 0.84 MTNR1A (0.39) LMNAMTNR1ASLC22A12RAB9ASMN1; SMN2
SCHEMBL967738 0.83 ALDH1A1 (0.41) LMNACCNCCDK8RAB9ANPC1

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 LMNA 3461/4885CCNC 3591/4885CDK8 2477/4885

“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.