SCHEMBL22255653

SCHEMBL22255653

c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5sc6ccccc6c45)cc3)ccc3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.33
S1PR4 O95977 6/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
NQO1 P15559 1/20 0.31
NQO2 P16083 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTPN1 P18031 2/20 0.31
F9 P00740 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL22255652 0.96 S1PR5 (0.32) S1PR5S1PR4GPR84HSD17B1HSD17B2
SCHEMBL21203307 0.95 NQO1 (0.32) GPR84NQO1NQO2PTPN1F9
SCHEMBL21206078 0.95 NQO1 (0.32) GPR84NQO1NQO2PTPN1F9
SCHEMBL22255655 0.95 NQO1 (0.32) GPR84NQO1NQO2PTPN1F9
SCHEMBL22255656 0.94 NQO1 (0.31) GPR84NQO1NQO2PTPN1F9
SCHEMBL22255618 0.92 F9 (0.33) NQO1NQO2F9
SCHEMBL22255649 0.91 F9 (0.34) S1PR5S1PR4NQO1NQO2CYP1A2
SCHEMBL21206083 0.91 F9 (0.34) S1PR5S1PR4NQO1NQO2CYP1A2
SCHEMBL22255683 0.91 S1PR5 (0.35) S1PR5S1PR4ESR1ESR2GPR84
SCHEMBL22255341 0.90 HSD17B1 (0.37) S1PR5S1PR4ESR1ESR2HSD17B1

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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA S1PR5 3891/4885S1PR4 3725/4885ESR1 537/4885

“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.