SCHEMBL23334652

SCHEMBL23334652

c1ccc(-c2ccc3cc(-c4cc(-c5cc6ccccc6o5)nc(-c5ccc6c(c5)oc5ccccc56)n4)ccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
HCRTR1 O43613 1/20 0.40
PGR P06401 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
PLA2G2A P14555 2/20 0.39
PLA2G4A P47712 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 2/20 0.38
METAP2 P50579 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
GRM4 Q14833 2/20 0.37
MAOA P21397 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL23334474 0.94 PLA2G2A (0.43) HCRTR1PGRCYP19A1CYP1A1CYP1B1
SCHEMBL21476376 0.94 PLA2G2A (0.43) MCL1HCRTR1CYP19A1PLA2G2APLA2G4A
SCHEMBL23335209 0.93 CYP19A1 (0.43) MCL1CYP19A1CYP1B1PLA2G2APLA2G4A
SCHEMBL23334920 0.90 MCL1 (0.42) MCL1PGRCYP19A1CYP1A1CYP1B1
SCHEMBL23334662 0.89 PGR (0.43) MCL1HCRTR1PGRCYP19A1CYP1A1
SCHEMBL21476552 0.88 PLA2G2A (0.48) HCRTR1CYP19A1CYP1B1PLA2G2APLA2G4A
SCHEMBL23334722 0.88 PLA2G2A (0.46) HCRTR1PGRCYP19A1CYP1A1CYP1B1
SCHEMBL21480652 0.88 MAOB (0.48) CYP19A1CYP1A1CYP1B1PLA2G2APLA2G4A
SCHEMBL22104542 0.88 CYP1A1 (0.49) HCRTR1PGRCYP19A1CYP1A1CYP1B1
SCHEMBL19397397 0.88 CYP1A1 (0.49) HCRTR1PGRCYP19A1CYP1A1CYP1B1

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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-05-06 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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, MLX, LEF1 MCL1 2599/4885HCRTR1 3196/4885PGR 1308/4885

“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.