SCHEMBL9890963

SCHEMBL9890963

O=P(c1ccccc1)(c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
TOP1 P11387 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 4/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL16628563 0.91 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17936702 0.91 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30634641 0.91 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30892132 0.91 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16628450 0.91 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL11962348 0.90 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9927194 0.88 CYP1A2 (0.33) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9927238 0.88 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18253788 0.88 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2901666 0.88 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE

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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE CRY1, MMS19, CRY2 CYP1A2 400/4885ERBB2 3888/4885FYN 3673/4885

“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.