SCHEMBL22894076

SCHEMBL22894076

Clc1nc(-c2cccc3c2oc2ccc4ccccc4c23)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 3/20 0.35
AHR P35869 3/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
C1R P00736 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
FYN P06241 1/20 0.35
MAPK3 P27361 1/20 0.35
PAX8 Q06710 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL23609708 0.86 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL23609934 0.84 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL14233141 0.84 KDM4E (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL23609928 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL23027101 0.81 ALOX5 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL22697721 0.80 KDM4E (0.40) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL22893839 0.80 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL15860268 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL29572574 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL18456304 0.79 KDM4E (0.49) ALDH1A1KDM4EMAPTKMT2AHPGD

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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ALDH1A1 9/4885KDM4E 2673/4885MEN1 257/4885

“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.