SCHEMBL186863

SCHEMBL186863

c1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccccc5)s4)cc3)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.61
HSD17B2 P37059 3/20 0.61
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 4/20 0.59
NFKB1 P19838 4/20 0.59
NFKB2 Q00653 4/20 0.59
RELA Q04206 4/20 0.59
HPGDS O60760 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.53
KDR P35968 2/20 0.52
HPGD P15428 2/20 0.51
PTPN1 P18031 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 2/20 0.50

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
SCHEMBL10013448 1.00 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL15090535 0.98 HSD17B1 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL185735 0.98 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
Bromide SCHEMBL11463626 0.96 HSD17B1 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL15090492 0.91 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL28743533 0.91 NPC1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL19233120 0.91 NPC1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL20379368 0.91 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL31312542 0.91 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL23212803 0.88 HPGDS (0.58) HSD17B1HSD17B2CYP3A4CYP2C9NPC1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11968893-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2024-04-23 US disclosed
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 US disclosed
EP-2315502-B1 Electroluminescent device UDC IRELAND LTD (IE) 2020-10-14 EP disclosed
EP-1885818-B2 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2018-10-03 EP disclosed
US-20180269403-A1 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2018-09-20 US disclosed
US-9923148-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2018-03-20 US disclosed
EP-2265092-B1 Electroluminescent device UDC IRELAND LTD (IE) 2018-03-14 EP disclosed
EP-1520450-B1 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2017-08-02 EP disclosed
US-20170194568-A9 Electroluminescent Device UDC IRELAND LIMITED (IE) 2017-07-06 US disclosed
US-9113536-B2 Electroluminescent device BASF SE (DE) 2015-08-18 US disclosed
EP-1191020-A2 Material for organic electroluminescence device and use thereof TOYO INK MANUFACTURING CO., LTD. (JP) 2002-03-27 EP disclosed
US-20010033944-A1 LIGHT-EMITTING MATERIAL FOR ORGANO-ELECTROLUMINESCENCE DEVICE AND FOR ORGANIC ELECTROLUMINESCENCE DEVICE WHICH THE MATERIAL IS APPLIED TOYO INK MANUFACTURING CO., LTD. (JP) 2001-10-25 US disclosed
US-6280859-B1 AROMATIC ELECTROLUMINESCENT MATERIAL OR NONSUBSTITUTED HETEROAROMATIC GROUP OR DIVALENT GROUP TOYO INK MANUFACTURING CO., LTD. (JP) 2001-08-28 US disclosed
EP-0786926-B1 Light-emitting material for organo-electroluminescence device and organo-electroluminescence devive for which the light-emitting material is adapted TOYO INK MFG CO (JP) 2001-08-22 EP disclosed
US-6245449-B1 LIGHT EMITTER LAYERS OR ORGANIC COMPOUNDS, THIN LAYERS AND ELECTRODES, ANODES AND CATHODES TOYO INK MANUFACTURING CO., LTD. (JP) 2001-06-12 US disclosed
US-6150042-A ELECTROLUMINESCENCE DEVICE WITH HOLE INJECTING MATERIAL HAVING GOOD DURABILITY BEING A TRIPHENYLENE STRUCTURE OF GIVEN FORMULA HAVING MULTIPLE ETHER, SULFIDE, AND/OR AMINE SUBSTITUTIONS TOYO INK MANUFACTURING CO., LTD. (JP) 2000-11-21 US disclosed
EP-0934992-A1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MANUFACTURING CO., LTD. (JP) 1999-08-11 EP disclosed
EP-0866110-A1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-23 EP disclosed
EP-0847228-A2 Material for organoelectroluminescence device and use thereof TOYO INK MANUFACTURING CO., LTD. (JP) 1998-06-10 EP disclosed
EP-0786926-A2 Light-emitting material for organo-electroluminescence device and organo-electroluminescence devive for which the light-emitting material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1997-07-30 EP 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 (5 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-20010033944-A1 LIGHT-EMITTING MATERIAL FOR ORGANO-ELECTROLUMINESCENCE DEVICE AND FOR ORGANIC ELECTROLUMINESCENCE DEVICE WHICH THE MATERIAL IS APPLIED L1CAM, ELP1, CRY1 HSD17B1 3580/4885HSD17B2 4095/4885CYP3A4 1837/4885
US-20180269403-A1 ELECTROLUMINESCENT DEVICE PNPO, ODC1, AXL HSD17B1 4485/4885HSD17B2 4363/4885CYP3A4 2357/4885
US-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL HSD17B1 4485/4885HSD17B2 4363/4885CYP3A4 2357/4885
US-20170194568-A9 Electroluminescent Device DPYD, PNPO, TYMP HSD17B1 4574/4885HSD17B2 4442/4885CYP3A4 1187/4885
US-11968893-B2 Electroluminescent device PNPO, ODC1, AXL HSD17B1 4485/4885HSD17B2 4363/4885CYP3A4 2357/4885

“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.