SCHEMBL21407083

SCHEMBL21407083

c1cc(-c2ccccc2-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-n2c3ccccc3c3cccnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRM5 P41594 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FEN1 P39748 1/20 0.39
AKT1 P31749 1/20 0.36
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
MAP4K4 O95819 1/20 0.36
LDHA P00338 1/20 0.35

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
SCHEMBL21407085 0.99 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL20747523 0.93 CYP2C19 (0.47) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL24224848 0.92 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL24224706 0.92 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL17523191 0.91 CYP2C19 (0.46) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL29431097 0.91 CYP2C19 (0.46) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL18252293 0.91 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL24224707 0.91 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL16483576 0.90 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19GRM5KDM4E
SCHEMBL18252308 0.89 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19KDM4EATM

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-20190305228-A1 ORGANIC LIGHTEMITTING COMPOUND HAVING PHOSPHORESCENT CHARACTERISTIC AT ROOM TEMPERATURE, AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC LIGHTEMITTING COMPOUND RESEARCH & BUSINESS FOUNDATION SUNGKYUNKWAN UNIVER SITY (KR) 2019-10-03 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-20190305228-A1 ORGANIC LIGHTEMITTING COMPOUND HAVING PHOSPHORESCENT CHARACTERISTIC AT ROOM TEMPERATURE, AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC LIGHTEMITTING COMPOUND MAP1LC3C, MAP1LC3A, MAP1LC3B ALDH1A1 250/4885TSHR 4584/4885CYP2C19 382/4885

“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.