SCHEMBL21898720

SCHEMBL21898720

N#Cc1cc(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.37
PGR P06401 4/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CTSS P25774 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 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
SCHEMBL21898722 0.97 AR (0.37) ARPGRCYP11B1CYP11B2TRPA1
SCHEMBL21898727 0.93 AR (0.38) ARPGRCYP11B1CYP11B2TRPA1
SCHEMBL21898721 0.92 AR (0.38) ARPGRCYP11B1CYP11B2KDM4E
SCHEMBL21898724 0.91 AR (0.37) ARPGRTRPA1
SCHEMBL20616947 0.90 AR (0.44) ARPGRTRPA1
SCHEMBL21898524 0.90 AR (0.37) ARPGRTRPA1EGLN2
SCHEMBL20623782 0.89 AR (0.41) ARPGRTRPA1RXRARXRG
SCHEMBL21898702 0.89 AR (0.45) ARPGRTRPA1
SCHEMBL20624366 0.88 KIF11 (0.41) ARPGREGLN2
SCHEMBL20623784 0.88 KIF11 (0.39) 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 4468/4885PGR 3332/4885CYP11B1 1096/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 AR 4596/4885PGR 3430/4885CYP11B1 1130/4885

“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.