SCHEMBL21758702

SCHEMBL21758702

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1ccc(C#N)cc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.35
RORC P51449 6/20 0.35
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP19A1 P11511 1/20 0.33
PTGER4 P35408 2/20 0.33
SLC22A6 Q4U2R8 2/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33
ABCG2 Q9UNQ0 1/20 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
SCHEMBL21758704 0.95 SLC22A12 (0.38) SLC22A12CYP11B2CYP11B1CYP19A1CSNK1D
SCHEMBL21758174 0.94 RORC (0.36) SLC22A12RORCCYP11B2CYP11B1CYP19A1
SCHEMBL21758486 0.91 CYP3A4 (0.37) SLC22A12CYP19A1
SCHEMBL21758474 0.90 CHUK (0.38) SLC22A12RORCCYP11B2CYP11B1CYP19A1
SCHEMBL21396782 0.89 CYP11B2 (0.38) SLC22A12CYP11B2CYP11B1CYP19A1PTGER4
SCHEMBL21758335 0.89 RORC (0.35) RORCCYP11B2CYP11B1CYP19A1PTGER4
SCHEMBL21758178 0.88 CYP11B2 (0.38) SLC22A12CYP11B2CYP11B1CYP19A1CSNK1D
SCHEMBL21758159 0.88 CYP11B2 (0.37) SLC22A12RORCCYP11B2CYP11B1PTGER4
SCHEMBL23255429 0.87 CYP3A4 (0.37) SLC22A12CYP11B2CYP11B1PTGER4
SCHEMBL21758709 0.86 CYP19A1 (0.34) SLC22A12RORCCYP11B2CYP11B1CYP19A1

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 SLC22A12 2205/4885RORC 254/4885CYP11B2 1243/4885

“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.