SCHEMBL21704895

SCHEMBL21704895

CCC(C)Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
CYP3A4 P08684 3/20 0.72
ALOX15 P16050 3/20 0.72
TSHR P16473 3/20 0.72
HSD17B10 Q99714 3/20 0.72
TDP1 Q9NUW8 3/20 0.72
HIF1A Q16665 2/20 0.72
THRB P10828 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
TP53 P04637 1/20 0.72
HSP90AA1 P07900 1/20 0.72
CASP1 P29466 1/20 0.72
ALOX12 P18054 2/20 0.50
MAPK1 P28482 1/20 0.50
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL20146569 1.00 ALDH1A1 (0.72) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1844486 0.92 ALDH1A1 (0.86) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
Methane SCHEMBL21294035 0.90 ALDH1A1 (0.82) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL94935 0.87 ALDH1A1 (0.77) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL172358 0.87 ALDH1A1 (0.77) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL13776661 0.87 ALDH1A1 (0.77) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17821990 0.85 ALDH1A1 (0.74) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
Hydrochloric Acid SCHEMBL17710389 0.85 ALDH1A1 (0.74) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL49805 0.85 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL93902 0.84 ALDH1A1 (0.72) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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-11332474-B2 Compound and organic light-emission device LG DISPLAY CO., LTD. (KR) 2022-05-17 US disclosed
US-20200048273-A1 COMPOUND AND ORGANIC LIGHT-EMISSION DEVICE LG DISPLAY CO., LTD. (KR) 2020-02-13 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-20200048273-A1 COMPOUND AND ORGANIC LIGHT-EMISSION DEVICE TRPC4, TRPA1, TRPC1 ALDH1A1 721/4885CYP3A4 314/4885ALOX15 1428/4885
US-11332474-B2 Compound and organic light-emission device TRPC4, TRPA1, TRPC1 ALDH1A1 721/4885CYP3A4 314/4885ALOX15 1428/4885

“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.