SCHEMBL25909005

SCHEMBL25909005

C#Cc1cc(CC#N)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
AR P10275 7/20 0.36
ENPP2 Q13822 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PYCR1 P32322 1/20 0.33
KIF11 P52732 2/20 0.32
MMP3 P08254 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR1 O14842 1/20 0.31
PGR P06401 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
SCHEMBL24108442 0.86 RXRA (0.42) RXRARXRBRXRGPTPRCPTPN1
SCHEMBL8882398 0.84 RXRA (0.43) RXRARXRBRXRGPTPRCPTPN1
SCHEMBL20470544 0.79 PDE2A (0.41) RXRARXRBRXRGARPYCR1
SCHEMBL26312448 0.79 RXRA (0.33) RXRARXRBRXRGARPYCR1
SCHEMBL25856508 0.78 KDM4E (0.36) RXRARXRBRXRGARPYCR1
SCHEMBL624789 0.77 KIF11 (0.49) RXRARXRBRXRGPTPRCPTPN1
SCHEMBL29941066 0.76 DAO (0.44) RXRARXRBRXRGPTPRCPTPN1
SCHEMBL24108411 0.76 AR (0.53) RXRARXRBRXRGARPGR
SCHEMBL21767817 0.76 DAO (0.44) RXRARXRBRXRGPTPRCPTPN1
SCHEMBL24360471 0.76 DAO (0.44) RXRARXRBRXRGPTPRCPTPN1

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-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

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-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 RXRA 998/4885RXRB 1429/4885RXRG 2100/4885

“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.