SCHEMBL21758733

SCHEMBL21758733

N#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2ccncc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.35
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CYP17A1 P05093 1/20 0.33
PTGER4 P35408 1/20 0.33
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
ICMT O60725 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ELANE P08246 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
TACR1 P25103 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
SCHEMBL21758690 0.94 GPBAR1 (0.35) GPBAR1CYP3A4CYP3A5CYP11B1CYP11B2
SCHEMBL21758500 0.94 GPBAR1 (0.35) GPBAR1CYP3A4CYP3A5CYP11B1CYP11B2
SCHEMBL21758701 0.90 GPBAR1 (0.34) GPBAR1CYP3A4CYP3A5CYP11B1CYP11B2
SCHEMBL23255282 0.90 KIF11 (0.39) GPBAR1CYP3A4CYP3A5CYP11B2PTGER4
SCHEMBL21758569 0.89 GPBAR1 (0.38) GPBAR1CYP3A4CYP3A5CYP1A2METAP2
SCHEMBL20849277 0.89 KIF11 (0.37) PTGER4RXRARXRGICMTTACR1
SCHEMBL23255281 0.89 GPBAR1 (0.35) GPBAR1CYP3A4CYP3A5CYP11B1CYP11B2
SCHEMBL21758169 0.88 CYP11B2 (0.36) CYP11B1CYP11B2CYP17A1PTGER4METAP2
SCHEMBL20849579 0.88 RXRA (0.35) PTGER4RXRARXRGICMTTACR1
SCHEMBL21758577 0.88 CYP11B2 (0.39) CYP11B1CYP11B2CYP17A1PTGER4SLC22A12

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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 GPBAR1 1502/4885CYP3A4 1908/4885CYP3A5 2515/4885

“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.