SCHEMBL10170899

SCHEMBL10170899

CC1(C)c2ccc(Br)cc2Oc2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.52
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
BACE1 P56817 9/20 0.34
CTSD P07339 1/20 0.32
AKR1B1 P15121 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL30153529 0.92 AHR (0.54) AHRLMNAMAPTHTTBLM
SCHEMBL15841475 0.92 AHR (0.54) AHRLMNAMAPTHTTBLM
SCHEMBL12468801 0.89 AHR (0.44) AHRLMNAMAPTHTTBLM
SCHEMBL28717064 0.89 AHR (0.44) AHRBACE1
SCHEMBL15982218 0.87 AHR (0.55) AHRLMNAMAPT
SCHEMBL17703247 0.87 AHR (0.55) AHRLMNAMAPTHTTBLM
SCHEMBL16426146 0.84 AHR (0.45) AHRLMNAMAPTHTTBACE1
SCHEMBL12683242 0.82 AHR (0.39) AHRCA12CA2CA9
SCHEMBL17703251 0.82 AHR (0.44) AHRBACE1AKR1B1
SCHEMBL12683146 0.80 GSK3B (0.44) AHRAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904361-A2 BORON CONTAINING COMPOUNDS Merck Patent GmbH (DE) 2021-11-03 EP disclosed
EP-3052505-B1 BORON-CONTAINING COMPOUNDS MERCK PATENT GMBH (DE) 2021-06-23 EP disclosed
WO-2017023126-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2017-02-09 WO disclosed
US-20160248015-A1 BORON-CONTAINING COMPOUNDS MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160248015-A1 BORON-CONTAINING COMPOUNDS MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
EP-2580209-A2 INHIBITORS OF HCV NS5A PROTEIN Presidio Pharmaceuticals, Inc. (US) 2013-04-17 EP disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 WO disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 WO disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
WO-2011156543-A2 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-15 WO disclosed
WO-2011156543-A2 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-15 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-20160248015-A1 BORON-CONTAINING COMPOUNDS BIRC2, BRSK1, CTCF AHR 1105/4885LMNA 1092/4885MAPT 1485/4885
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC AHR 1447/4885LMNA 2669/4885MAPT 3989/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 AHR 942/4885LMNA 2515/4885MAPT 3928/4885

“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.