SCHEMBL21898522

SCHEMBL21898522

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.36
TRPA1 O75762 1/20 0.34
SLC22A12 Q96S37 2/20 0.32

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
SCHEMBL20623729 0.96 AR (0.38) ARTRPA1SLC22A12
SCHEMBL21898737 0.93 AR (0.37) ARTRPA1
SCHEMBL21898841 0.92 TRPA1 (0.35) ARTRPA1
SCHEMBL21898695 0.92 AR (0.36) AR
SCHEMBL20611569 0.92 AR (0.37) ARTRPA1
SCHEMBL20623728 0.91 KIF11 (0.38) ARTRPA1
SCHEMBL21898735 0.89 TRPA1 (0.37) ARTRPA1
SCHEMBL20617180 0.89 TRPA1 (0.46) ARTRPA1SLC22A12
SCHEMBL20611919 0.89 AR (0.36) ARTRPA1
SCHEMBL20623731 0.87 AR (0.41) ARTRPA1

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-11661412-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-30 US disclosed
US-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-23 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-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, AOC3, MT-CO3 AR 4468/4885TRPA1 899/4885SLC22A12 2090/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 AR 4596/4885TRPA1 38/4885SLC22A12 909/4885

“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.