SCHEMBL25856508

SCHEMBL25856508

C#Cc1cc(CC#N)cc(C(F)(F)F)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.36
HPGD P15428 11/20 0.36
ALDH1A1 P00352 11/20 0.36
GAA P10253 10/20 0.36
GLA P06280 8/20 0.36
TP53 P04637 1/20 0.36
AR P10275 2/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PYCR1 P32322 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
RXRA P19793 2/20 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
SCHEMBL24149745 0.89 KDM4E (0.38) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL25856533 0.88 AR (0.38) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL26312438 0.85 PYCR1 (0.38) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL24146616 0.85 KDM4E (0.42) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL26312448 0.83 RXRA (0.33) KDM4EARPYCR1TDP1RXRA
SCHEMBL24147888 0.79 KDM4E (0.38) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL25856505 0.78 AR (0.33) KDM4EARTDP1
SCHEMBL26312453 0.78 ALDH1A1 (0.42) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL25826329 0.78 KDM4E (0.44) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL25909005 0.78 RXRA (0.39) KDM4EARPYCR1TDP1RXRA

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-20230227401-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device NOVALED GMBH (DE) 2023-07-20 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-20230227401-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device CFD, OCIAD2, OCIAD1 KDM4E 1247/4885HPGD 1609/4885ALDH1A1 435/4885

“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.