SCHEMBL21732406

SCHEMBL21732406

c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 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
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21732482 0.94 MEN1 (0.32) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19298931 0.91 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19298380 0.89 LIMK1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20619272 0.89 LIMK1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21868694 0.88 LIMK1 (0.32) USP2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20622514 0.88 LIMK1 (0.30) LIMK1
SCHEMBL21732808 0.87 CYP1A2 (0.31) USP2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL21732499 0.87
SCHEMBL20619145 0.87

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 ALDH1A1 5/4885MAPT 1043/4885HPGD 2884/4885

“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.