SCHEMBL21558951

SCHEMBL21558951

CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc32)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F9 P00740 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL21559062 0.97 ABCB1 (0.33) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL21558979 0.96 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23383290 0.96 PDK2 (0.34) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL17550834 0.95 PDK2 (0.35) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL21559394 0.94 PIM3 (0.33) PDK2
SCHEMBL24904667 0.94 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23383291 0.94 PDK2 (0.32) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL21924649 0.94 ALDH1A1 (0.33) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL24905253 0.94 ALDH1A1 (0.34) PDK2ALDH1A1MAPTHPGDRAB9A
SCHEMBL21558971 0.93

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20200131112-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-04-30 US disclosed
EP-3567026-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2019-11-13 EP 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-20200131112-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME AOX1, CYP1B1, CRY1 PDK2 2204/4885ALDH1A1 10/4885MAPT 2292/4885

“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.