SCHEMBL17548826

SCHEMBL17548826

Brc1cc2c3cc(I)ccc3sc2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.37
MAPT P10636 2/20 0.33
GPR3 P46089 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ALOX5 P09917 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RAB9A P51151 2/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
PTPRA P18433 1/20 0.30
PTPRB P23467 1/20 0.30
PTPN6 P29350 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL19077635 0.87 MAPT (0.35) PTPN1MAPTGPR3TNKSTNKS2
SCHEMBL17548772 0.83 PTPN1 (0.35) PTPN1GPR3ALOX5
SCHEMBL1294718 0.83 GPR3 (0.50) PTPN1MAPTGPR3TNKSTNKS2
SCHEMBL30340721 0.83 GPR3 (0.50) PTPN1MAPTGPR3TNKSTNKS2
SCHEMBL17548815 0.77 GPR3 (0.36) PTPN1MAPTGPR3RAB9AKDM4E
SCHEMBL17383073 0.77 MAPT (0.35) PTPN1MAPTGPR3L3MBTL1RAB9A
SCHEMBL7912381 0.75 GPR3 (0.61) MAPTGPR3L3MBTL1RAB9AKDM4E
SCHEMBL23893280 0.73 ALOX5 (0.49) GPR3TNKSTNKS2ALOX5
SCHEMBL13562019 0.73 CYP1B1 (0.33) ALDH1A1
SCHEMBL17548856 0.73 AHR (0.47) MAPTGPR3TNKSTNKS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 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 (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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 PTPN1 3949/4885MAPT 954/4885GPR3 4701/4885

“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.