SCHEMBL21392670

SCHEMBL21392670

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5cccc6c5nc(C)n6-c5ccc(-c6c7ccccc7c(-c7cc(-c8ccccc8)ccc7-c7ccccc7)c7ccccc67)cc5)cc4)c(-c4ccccc4)c3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.38
PIK3R2 O00459 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
VCP P55072 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MCHR1 Q99705 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
SCHEMBL21392555 0.91 MAPK1 (0.53) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL21392671 0.90 ESR1 (0.46) ALDH1A1KDM4EESR1ESR2
SCHEMBL14499557 0.89 MAPK1 (0.53) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL21392565 0.89 MAPK1 (0.56) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2604834 0.86 MAPK1 (0.57) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2604819 0.85 MAPK1 (0.58) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL14499555 0.85 MAPK1 (0.58) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13240697 0.85 MAPK1 (0.58) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL21392415 0.85 MAPK1 (0.61) MAPK1HTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL20909268 0.84 MAPK1 (0.50) MAPK1HTTALDH1A1KDM4ESMN1; SMN2

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-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885ALDH1A1 567/4885

“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.