SCHEMBL20849644

SCHEMBL20849644

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#N)cc1-c1cc(-c2c(C(F)(F)F)cccc2C(F)(F)F)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
AR P10275 4/20 0.34
MAT2A P31153 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KDM1A O60341 1/20 0.33
ELANE P08246 2/20 0.32
PTPN5 P54829 1/20 0.32
CSNK1D P48730 2/20 0.32
CSNK1G2 P78368 2/20 0.32
TRPA1 O75762 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL20849643 0.96 RORC (0.36) KIF11ARSLC22A12PTPN5
SCHEMBL20848545 0.95 KIF11 (0.36) KIF11ARMAT2ASLC22A12TRPV4
SCHEMBL20848551 0.94 KIF11 (0.40) KIF11ARMAT2AELANEPTPN5
SCHEMBL21399513 0.92 CASP3 (0.33) KIF11ARMAT2ASLC22A12TRPV4
SCHEMBL20848554 0.91 RORC (0.34) KIF11ARSLC22A12PTPN5
SCHEMBL20849188 0.91 KIF11 (0.33) KIF11ARSLC22A12PTPN5
SCHEMBL20848555 0.91 KIF11 (0.38) KIF11ARMAT2ASLC22A12TRPV4
SCHEMBL20848917 0.91 KIF11 (0.37) KIF11ARMAT2ASLC22A12TRPV4
SCHEMBL20848562 0.90 KIF11 (0.36) KIF11ARMAT2ASLC22A12ELANE
SCHEMBL20849233 0.88 KIF11 (0.37) KIF11ARMAT2AELANEPTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 KIF11 419/4885AR 3706/4885MAT2A 2519/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885AR 3706/4885MAT2A 2519/4885

“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.