SCHEMBL13801112

SCHEMBL13801112

c1ccc2c(-c3nc4sc(-c5cccc6ccccc56)nc4s3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HTR2C P28335 9/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TGFBR1 P36897 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
PTPN11 Q06124 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 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
SCHEMBL13801123 0.82 CRHBP (0.46) ALOX15HTR2CKDM4EALDH1A1LMNA
SCHEMBL251035 0.81 KDM4E (0.53) ALOX15HTR2CKDM4EALDH1A1LMNA
SCHEMBL2225061 0.79 KDM4E (0.64) ALOX15KDM4EALDH1A1LMNAHSD17B10
SCHEMBL30689066 0.79 KDM4E (0.64) ALOX15KDM4EALDH1A1LMNAHSD17B10
SCHEMBL13801122 0.78 CYP11B1 (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL12914313 0.78 PTPN11 (0.50) ALOX15HTR2CKDM4EALDH1A1LMNA
SCHEMBL13801124 0.77 ALDH1A1 (0.38) ALOX15HTR2CKDM4EALDH1A1LMNA
SCHEMBL13801114 0.76 CYP1A2 (0.50) ALOX15HTR2CKDM4EALDH1A1LMNA
SCHEMBL13801116 0.76 IDO1 (0.50) ALOX15KDM4EALDH1A1LMNAHPGD
SCHEMBL25028182 0.75 ALDH1A1 (0.42) ALOX15KDM4EALDH1A1HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
EP-3902021-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH Toyo Ink SC Holdings Co., Ltd. (JP) 2021-10-27 EP disclosed
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, ELAVL1, ELF3 ALOX15 362/4885HTR2C 4158/4885KDM4E 1648/4885

“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.