SCHEMBL25930993

SCHEMBL25930993

CC(O)C(c1cc(C(F)(F)F)nc(C(F)(F)F)n1)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRHR2 Q13324 1/20 0.44
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
SORD Q00796 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ADRB1 P08588 1/20 0.31
PDE2A O00408 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL25065713 0.82 CYP2C19 (0.62) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL25930923 0.74 CYP2C19 (0.41) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL3293782 0.72 HSP90AA1 (0.43) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL24848629 0.71 CYP3A4 (0.59) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL14930775 0.71 HSP90AA1 (0.61) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL18068094 0.69 CYP3A4 (0.50) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL601042 0.67 HSP90AA1 (0.36) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL25930929 0.67
SCHEMBL25930917 0.65 IDH1 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL27128939 0.64 CYP3A4 (0.46) CYP3A4CYP2D6TSHRCRHBPCYP2C19

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-20230247896-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) NOVALED GMBH (DE) 2023-08-03 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-20230247896-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) C5, AFF2, SCO2 CYP3A4 379/4885CYP2D6 309/4885TSHR 939/4885

“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.