SCHEMBL21732808

SCHEMBL21732808

c1ccc(-c2nc(-c3ccc4c(c3)Oc3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
LIMK1 P53667 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
SCHEMBL21732502 0.94 ALDH1A1 (0.32) CYP1A2USP2LMNACYP3A4CYP2D6
SCHEMBL21732482 0.94 MEN1 (0.32) CYP1A2USP2LMNACYP3A4CYP2D6
SCHEMBL21732493 0.87
SCHEMBL21732406 0.87 ALDH1A1 (0.32) CYP1A2USP2LMNACYP3A4CYP2D6
SCHEMBL21732504 0.87
SCHEMBL21732550 0.86 MEN1 (0.37) CYP1A2USP2LMNACYP3A4CYP2D6
SCHEMBL21732498 0.85 MEN1 (0.36) CYP1A2USP2LMNACYP3A4CYP2D6
SCHEMBL19298416 0.84 ALDH1A1 (0.32)
SCHEMBL25004588 0.84 ALDH1A1 (0.32)
SCHEMBL22986981 0.84 MAPT (0.38) CYP1A2LMNA

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-20210053934-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-02-25 US disclosed
WO-2020036314-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-02-20 WO 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-20210053934-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME AOX1, CRY1, ALDH1A2 CYP1A2 25/4885USP2 2960/4885LMNA 3390/4885

“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.