SCHEMBL16210692

SCHEMBL16210692

O=Cc1cc(Cc2ccccc2)cc(Br)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.53
PTPN1 P18031 4/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSP90AA1 P07900 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44
IDH1 O75874 1/20 0.41
CALM1 P0DP23 1/20 0.40
MAOB P27338 1/20 0.39
HNF4A P41235 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL210113 0.91 ERN1 (0.62) ERN1PTPN1MEN1KMT2AHSP90AA1
SCHEMBL2556033 0.86 PTPN1 (0.43) ERN1PTPN1MEN1KMT2AHSP90AA1
SCHEMBL2556036 0.86 PTPN1 (0.43) ERN1PTPN1MEN1KMT2AHSP90AA1
SCHEMBL10958433 0.84 TBXAS1 (0.47) ERN1MEN1KMT2AHSP90AA1
SCHEMBL6947008 0.84 PTPN1 (0.55) PTPN1MEN1KMT2AHSP90AA1MAPT
SCHEMBL7490839 0.81 PTPN1 (0.61) PTPN1PTPN2PTPN6BCL2BCL2L1
SCHEMBL27819945 0.80 HMGB1 (0.49) ERN1PTPN1MEN1KMT2AMAPT
SCHEMBL26244617 0.79 ERN1 (0.60) ERN1PTPN1MAPTLMNA
SCHEMBL4998278 0.78 ERN1 (0.55) ERN1PTPN1MEN1KMT2A
SCHEMBL9174814 0.78 ERN1 (0.56) ERN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 US disclosed
US-20160251312-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-09-01 US disclosed
US-9357781-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-06-07 US disclosed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 US disclosed
WO-2014179785-A1 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2014-11-06 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 (2 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-20160251312-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 ERN1 3757/4885PTPN1 3696/4885MEN1 2382/4885
US-20140329674-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 ERN1 3757/4885PTPN1 3696/4885MEN1 2382/4885

“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.