SCHEMBL18101522

SCHEMBL18101522

Cc1ccc(C)c(N(c2cc(N(c3cc(C)ccc3C)c3cccc4c3oc3ccccc34)c3ccc4cc(C)cc5ccc2c3c54)c2cccc3c2oc2ccccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAOB P27338 3/20 0.31
LMNA P02545 2/20 0.31
MAOA P21397 1/20 0.31
MAPT P10636 2/20 0.30
ALOX5 P09917 2/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
AHR P35869 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 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
SCHEMBL19156700 0.95 CYP1A2 (0.31) CYP1A2CYP2A6
SCHEMBL18101516 0.92 HPGD (0.33) CYP1A2CYP2A6ALDH1A1KDM4EGAA
SCHEMBL18101524 0.92 KDM4E (0.35) CYP1A2ALDH1A1KDM4EGAAHPGD
SCHEMBL18101507 0.91 LMNA (0.33) CYP1A2CYP2A6ALDH1A1KDM4EGAA
SCHEMBL18101555 0.91 NPC1 (0.30) MAPTNPC1POLB
SCHEMBL18101585 0.91 LMNA (0.30) LMNA
SCHEMBL18101520 0.90 ALOX5 (0.32) GAAMAOBALOX5
SCHEMBL18103988 0.89
SCHEMBL17676445 0.89 HPGD (0.33) CYP1A2CYP2A6ALDH1A1KDM4EGAA
SCHEMBL18101508 0.88 TDP1 (0.35) CYP1A2CYP2A6ALDH1A1KDM4EGAA

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-20160284998-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE OBTAINED BY USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-09-29 US disclosed
US-20160284998-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE OBTAINED BY USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-09-29 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-20160284998-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE OBTAINED BY USING SAME EPB41, RPS4X, OR10J3 CYP1A2 1746/4885CYP2A6 2649/4885ALDH1A1 695/4885

“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.