SCHEMBL24631978

SCHEMBL24631978

c1ccc2c(c1)[nH]c1ccc(Cn3c4ccccc4c4ccccc43)cc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
AHR P35869 1/20 0.48
KIF11 P52732 5/20 0.46
MCHR2 Q969V1 3/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
GPR3 P46089 1/20 0.45
P2RX4 Q99571 2/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC10 Q969S8 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL44730 0.82 HDAC6 (0.47) CYP19A1AHRKIF11ALDH1A1HSD17B10
SCHEMBL14849331 0.79 CYP19A1 (0.64) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL27835129 0.78 AHR (0.57) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL13957035 0.76 CYP19A1 (0.86) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL19768708 0.75 AHR (0.59) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL9128630 0.75 CYP19A1 (0.76) CYP19A1ALDH1A1P2RX4HDAC6HDAC1
Carbazole SCHEMBL28004069 0.74 ALDH1A1 (0.58) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL4812375 0.74 KIF11 (0.79) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL1734811 0.74 AHR (0.57) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL22089502 0.74 AHR (0.57) AHRKIF11MCHR2ALDH1A1HSD17B10

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-20220302388-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-09-22 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-20220302388-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES C1R, OXSR1, OXER1 CYP19A1 1234/4885AHR 1290/4885KIF11 3560/4885

“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.