SCHEMBL6876345

SCHEMBL6876345

CCOc1ccc2c(O)cc(OC(C)C)nc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.34
ADORA1 P30542 2/20 0.33
ALOX5 P09917 1/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SHMT2 P34897 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CASP1 P29466 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA2A P29274 1/20 0.31
RORC P51449 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL10026482 0.81 MAPT (0.39) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11942056 0.81 GRM4 (0.33) TSHRADORA1
SCHEMBL3369389 0.81 PDE4D (0.38) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL2744607 0.80 TSHR (0.33) TSHRADORA1MEN1KMT2AALDH1A1
SCHEMBL8136201 0.79 ADORA1 (0.35) TSHRADORA1MEN1KMT2AALDH1A1
SCHEMBL8139351 0.77 ALDH1A1 (0.34) TSHRMAPTADORA1ALOX5ESR1
SCHEMBL6876502 0.75 RXFP1 (0.37) MAPTMEN1KMT2AKDM4EPDE10A
SCHEMBL13757498 0.75 MAPT (0.37) TSHRMAPTMEN1KMT2ASHMT2
SCHEMBL10026485 0.75 MAPT (0.41) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL8136117 0.74 S1PR4 (0.35)

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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 TSHR 3288/4885MAPT 3921/4885ADORA1 3436/4885

“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.