SCHEMBL25826316

SCHEMBL25826316

Cc1cc(C(F)(F)F)c(CC#N)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.40
THRB P10828 1/20 0.37
GAA P10253 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PKM P14618 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
SCHEMBL25908872 0.93 AR (0.40) ARTHRBGAAALDH1A1GLA
SCHEMBL24146619 0.81 AR (0.38) ARGAARXRARXRBRXRG
SCHEMBL26312439 0.80 AR (0.36) ARGAAALDH1A1GLAHPGD
SCHEMBL25856448 0.80 AR (0.35) ARGAAALDH1A1GLAHPGD
SCHEMBL24146621 0.79 TRPV4 (0.42) ARGAAALDH1A1GLAHPGD
SCHEMBL18856726 0.78 GLA (0.35) ARGAAALDH1A1GLAHPGD
SCHEMBL25826312 0.77 RXRA (0.50) ARGAAALDH1A1GLAHPGD
SCHEMBL25856456 0.77 L3MBTL1 (0.39) ARGAAALDH1A1GLAHPGD
SCHEMBL24146611 0.76 RXRA (0.33) ARRXRARXRBRXRG
SCHEMBL26312440 0.76 AR (0.33) ARGAAALDH1A1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230240139-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) 2023-07-27 US disclosed
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
US-20230232712-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as Well as a Composition for Use in Organic Electronic Devices 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 (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-20230240139-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 AR 3081/4885THRB 1494/4885GAA 3475/4885
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 AR 3081/4885THRB 1494/4885GAA 3475/4885

“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.