SCHEMBL25993453

SCHEMBL25993453

Cn1c2cc3oc4ccccc4c3cc2c2cccc(C(C)(C)C)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
AHR P35869 2/20 0.39
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 2/20 0.36
MAPT P10636 6/20 0.36
HPGD P15428 6/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33

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
SCHEMBL25682059 0.95 AHR (0.39) MAOAAHRALDH1A1NPSR1RXFP1
SCHEMBL25993458 0.83 MAOA (0.38) MAOAAHRALDH1A1NPSR1RXFP1
SCHEMBL25678270 0.81 AHR (0.52) MAOAAHRALDH1A1CYP1A2MAPT
SCHEMBL25682329 0.79 GPR3 (0.42) ALDH1A1NPSR1RXFP1MAPTHPGD
SCHEMBL25993557 0.79 MAOA (0.39) MAOAAHRALDH1A1NPSR1RXFP1
SCHEMBL25993401 0.79 MAOA (0.39) MAOAAHRALDH1A1CYP1A2MAPT
SCHEMBL25993457 0.78 KIF11 (0.42) MAOAAHRALDH1A1CYP1A2MAPT
SCHEMBL25682287 0.78 KIF11 (0.49) MAOAAHRALDH1A1NPSR1RXFP1
SCHEMBL25974762 0.77 ALKBH5 (0.40) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL13183675 0.77 GPR3 (0.53) MAOAAHRALDH1A1NPSR1CYP1A2

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-20230265106-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2023-08-24 US disclosed
US-20230265106-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2023-08-24 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-20230265106-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT CRY1, CCNE2, CRY2 MAOA 3076/4885AHR 101/4885ALDH1A1 603/4885

“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.