SCHEMBL23917328

SCHEMBL23917328

c1ccc2c(c1)ccc1ccc(-n3c4ccccc4c4cc5nc6ccccc6n5cc43)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALK Q9UM73 2/20 0.35
HSD17B10 Q99714 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HPGD P15428 2/20 0.32
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TERT O14746 1/20 0.31
PTPN1 P18031 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL23917410 0.91 ALDH1A1 (0.36) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21622697 0.90 ALDH1A1 (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21622701 0.83 MAPT (0.35) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23917084 0.82 HPGD (0.39) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23917407 0.81 PDE10A (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21622776 0.81 ALDH1A1 (0.37) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21364403 0.80 RAD51 (0.36) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL18086212 0.80 KDM4E (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL21364407 0.79 KDM4E (0.35) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17358412 0.77 HPRT1 (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 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 (2 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM ALDH1A1 504/4885MAPT 780/4885CYP1A2 1750/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH1A1 504/4885MAPT 780/4885CYP1A2 1750/4885

“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.