SCHEMBL21399463

SCHEMBL21399463

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.34
KIF11 P52732 2/20 0.34
PTGER4 P35408 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
AR P10275 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
RORC P51449 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21399706 0.96 KIF11 (0.34) ELANEKIF11PTGER4PTGDR2AR
SCHEMBL21399464 0.95 KIF11 (0.36) ELANEKIF11PTGDR2ARHCRTR1
SCHEMBL22985352 0.94 ALOX5AP (0.35) ELANEKIF11PTGER4PTGDR2AR
SCHEMBL20849071 0.94 AR (0.35) ELANEKIF11PTGER4PTGDR2AR
SCHEMBL21399461 0.93 AR (0.41) ELANEKIF11PTGER4PTGDR2AR
SCHEMBL20848812 0.92 AR (0.35) ELANEKIF11PTGER4ARHCRTR1
SCHEMBL20849227 0.92 PTGER4 (0.33) ELANEPTGER4AR
SCHEMBL22985487 0.92 ALOX5AP (0.36) ELANEKIF11PTGER4PTGDR2AR
SCHEMBL21399715 0.92 KIF11 (0.34) ELANEKIF11PTGER4PTGDR2RORC
SCHEMBL21399576 0.92 KIF11 (0.37) ELANEKIF11PTGER4PTGDR2AR

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 ELANE 3696/4885KIF11 4281/4885PTGER4 1117/4885

“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.