SCHEMBL21473852

SCHEMBL21473852

Cc1ccc2ccc(C)c(N(c3ccc4ccc5c(N(c6c(C)ccc7ccc(C)cc67)c6cccc7c6oc6c(-c8ccccc8)cccc67)ccc6ccc3c4c65)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 1/20 0.32
PRKDC P78527 5/20 0.31
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
PIK3CB P42338 3/20 0.31
PIK3CG P48736 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 2/20 0.31
BRD2 P25440 2/20 0.31
BRD3 Q15059 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PDE2A O00408 1/20 0.31
PIK3C2A O00443 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3C2B O00750 1/20 0.31
PDE5A O76074 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
SCHEMBL24699291 0.86 CYP1A2 (0.35) MAOBMAOACYP1A2CYP2A6ALDH1A1
SCHEMBL21473900 0.85 CYP1A2 (0.34) MAOBMAOACYP1A2CYP2A6ALDH1A1
SCHEMBL24699688 0.84 PRKDC (0.34) CYP1A2PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL21475590 0.83 CYP1A2 (0.32) CYP1A2CYP2A6ALDH1A1CYP3A4TSHR
SCHEMBL21475610 0.82 CYP1A2 (0.34) MAOBCYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL23919352 0.81 ADORA3 (0.35) MAOBMAOAPRKDCPIK3CDPIK3CA
SCHEMBL24699017 0.81 ALDH1A1 (0.33) MAOBMAOACYP1A2CYP2A6ALDH1A1
SCHEMBL16203794 0.81 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL4089241 0.81 PRKDC (0.33) CYP1A2PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL30646703 0.81 PRKDC (0.33) CYP1A2PRKDCPIK3CDPIK3CAPIK3CB

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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF SLC7A1, WEE1, SLC7A5 MAOB 36/4885MAOA 50/4885CYP1A2 733/4885

“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.