SCHEMBL647172

SCHEMBL647172

Oc1cccc(-c2cccc(-c3ccccn3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.61
HSD17B2 P37059 8/20 0.61
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
RET P07949 1/20 0.50
CYP19A1 P11511 1/20 0.50
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
KDM1A O60341 1/20 0.48
CYP2A6 P11509 1/20 0.47
KAT6A Q92794 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46

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
SCHEMBL29808134 0.96 HSD17B1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9RET
SCHEMBL184352 0.96 HSD17B1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9RET
SCHEMBL29683459 0.96 HSD17B1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9RET
SCHEMBL6831070 0.94 HSD17B1 (0.60) HSD17B1HSD17B2CYP3A4CYP2C9RET
SCHEMBL2484955 0.94 HSD17B1 (0.60) HSD17B1HSD17B2CYP3A4CYP2C9RET
Bromide SCHEMBL28022394 0.94 HSD17B1 (0.60) HSD17B1HSD17B2CYP3A4CYP2C9RET
SCHEMBL183816 0.91 HSD17B1 (0.56) HSD17B1HSD17B2CYP3A4CYP2C9RET
SCHEMBL21506994 0.88 KDM4E (0.59) PIK3CAPIK3CGCYP2A6KAT6AKDM4E
SCHEMBL21173056 0.86 KDM4E (0.56) PIK3CAPIK3CGCYP2A6KAT6AKDM4E
SCHEMBL11910168 0.86 KDM4E (0.56) PIK3CAPIK3CGCYP2A6KAT6AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 US disclosed
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 US disclosed
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-20140284585-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2014-09-25 US disclosed
US-20140284585-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2014-09-25 US disclosed
US-20140284585-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2014-09-25 US disclosed
US-8778508-B2 Light-emitting organometallic complexes UNIVERSAL DISPLAY CORPORATION (US) 2014-07-15 US disclosed
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION 2009-05-14 US disclosed
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION 2009-05-14 US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
WO-2008073440-A2 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2008-06-19 WO disclosed
WO-2008073440-A2 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2008-06-19 WO 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 (3 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-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES CRY1, LAGE3, CRY2 HSD17B1 4164/4885HSD17B2 4108/4885CYP3A4 2278/4885
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same MTCL3, LIG4, L1CAM HSD17B1 3956/4885HSD17B2 3860/4885CYP3A4 3068/4885
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS PAICS, ITPA, MPI HSD17B1 4313/4885HSD17B2 3993/4885CYP3A4 3315/4885

“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.