SCHEMBL6767967

SCHEMBL6767967

O=Cc1ccccc1OCc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
KMT2A Q03164 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
IDO1 P14902 2/20 0.46
PTP4A3 O75365 1/20 0.45
PARP10 Q53GL7 1/20 0.44
CCNB2 O95067 1/20 0.44

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
SCHEMBL2066372 0.83 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL31265581 0.82 ALDH1A1 (0.68) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL18171756 0.82 ALDH1A1 (0.66) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL15619523 0.80 HPGD (0.66) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL2930822 0.80 ALDH1A1 (0.66) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL23004928 0.80 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL23680052 0.80 CDK4 (0.75) ALDH1A1HTTSMN1; SMN2HPGDCDK4
SCHEMBL11055202 0.80 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL14397894 0.80 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL2065761 0.78 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-6710208-B2 REACTING AN N-ALKYLATED POLYMERIC HYDROXAMIC ACID RESIN WITH AN ORGANOMETALLIC REAGENT TO LIBERATE THE KETONE AVENTIS PHARMACEUTICALS INC. 2004-03-23 US disclosed
US-20020183558-A1 Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds AVENTIS PHARMACEUTICALS INC. 2002-12-05 US disclosed
US-6392010-B1 FLUOROPHENYL HYDROXYLAMINE RESIN AVENTIS PHARMACEUTICALS INC. 2002-05-21 US 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC ALDH1A1 1474/4885HTT 4646/4885SMN1; SMN2 4833/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 ALDH1A1 1685/4885HTT 4578/4885SMN1; SMN2 4787/4885
US-20020183558-A1 Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds OGDH, OXGR1, ALDH7A1 ALDH1A1 19/4885HTT 978/4885SMN1; SMN2 2455/4885

“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.