SCHEMBL22079902

SCHEMBL22079902

c1ccc(-c2ccc(-c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.43
HSD17B10 Q99714 3/20 0.42
BCL2L1 Q07817 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
CYP2A6 P11509 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MGLL Q99685 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL22079532 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22078988 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22079671 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22079901 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22079936 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22079672 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22079529 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22079939 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22079077 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22079918 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1

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-20200185612-A1 COMPOUND, LIGHT-EMITTING ELEMENT CONTAINING THE SAME, DISPLAY DEVICE, AND LIGHTING DEVICE TORAY INDUSTRIES, INC. (JP) 2020-06-11 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-20200185612-A1 COMPOUND, LIGHT-EMITTING ELEMENT CONTAINING THE SAME, DISPLAY DEVICE, AND LIGHTING DEVICE NR2E3, PER2, CRY2 ALDH1A1 209/4885L3MBTL1 1746/4885CYP1A2 342/4885

“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.