SCHEMBL23348235

SCHEMBL23348235

Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-c4c(C)cc(C)cc4C)cc2n3-c2cc(-c3ccc(F)cc3)cc(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4ccc(-c5c(C)cc(C)cc5C)cc43)c2C#N)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
KCNQ1 P51787 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 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
SCHEMBL23348229 0.93 KCNJ5 (0.30) KDM4EKCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL23348227 0.92 KCNJ5 (0.32) KDM4EKCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL23348407 0.90 PDE1C (0.35) KDM4EALDH1A1GRIA2GRIA4
SCHEMBL22156478 0.90 KCNJ5 (0.32) KDM4EKCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL22156480 0.89 KDM4E (0.32) KDM4EPIK3CD
SCHEMBL22155910 0.87 PDE9A (0.35) KDM4EKCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL23348514 0.87 KCNJ5 (0.31) KCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL22155911 0.86 PDE9A (0.36) KDM4EPGRALDH1A1HSD17B10
SCHEMBL22156494 0.85 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL23348226 0.85 SMN1; SMN2 (0.36) KDM4EKCNJ5KCNJ3KCNQ1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139425-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-13 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 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-20210139425-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CCND2, CCND1, CRY1 KDM4E 3983/4885KCNJ5 2373/4885KCNJ3 1897/4885

“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.