SCHEMBL29914875

SCHEMBL29914875

N#Cc1ccc(-c2ccccc2-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.46
PDK2 Q15119 3/20 0.46
TRPV4 Q9HBA0 1/20 0.44
KIF11 P52732 1/20 0.43
PGR P06401 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ACP1 P24666 1/20 0.39

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
SCHEMBL21046587 1.00 AR (0.46) ARPDK2TRPV4KIF11PGR
SCHEMBL2371259 0.92 AR (0.47) ARPDK2TRPV4KIF11PGR
SCHEMBL7604551 0.85 TRPV4 (0.56) ARPDK2TRPV4KIF11GLA
SCHEMBL28668535 0.82 KIF11 (0.57) ARPDK2TRPV4KIF11PGR
SCHEMBL12855308 0.81 PTGDR2 (0.50) PDK2PTGDR2
SCHEMBL20740894 0.81 PTGDR2 (0.50) PDK2PTGDR2
SCHEMBL4450178 0.78 KIF11 (0.59) PDK2KIF11ALDH1A1PTGDR2
SCHEMBL17955138 0.78 KIF11 (0.53) ARPDK2TRPV4KIF11KDM4E
SCHEMBL3422472 0.77 PTGDR2 (0.53) PDK2PTGDR2
SCHEMBL29143031 0.77 GLA (0.43) ARKIF11ALDH1A1GLAGAA

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-11444250-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-09-13 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-11444250-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA AR 4237/4885PDK2 842/4885TRPV4 632/4885

“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.