SCHEMBL6344994

SCHEMBL6344994

COc1ccc(OC)c(-c2ccc(C(=O)O)n2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
TPMT P51580 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MPO P05164 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6346258 0.86 ALDH1A1 (0.52) ALDH1A1HPGDMAPTLMNACA1
SCHEMBL6344219 0.81 ALDH1A1 (0.47) ALDH1A1HPGDMAPTLMNACA1
SCHEMBL2039734 0.75 ALDH1A1 (0.63) ALDH1A1HPGDMAPTLMNACA1
SCHEMBL29788029 0.75 ALDH1A1 (0.63) ALDH1A1HPGDMAPTLMNACA1
SCHEMBL2803303 0.71 LMNA (0.58) ALDH1A1HPGDMAPTLMNACA1
SCHEMBL15869819 0.71 ALDH1A1 (0.49) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL5150983 0.70 SMN1; SMN2 (0.66) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL6248458 0.69 LMNA (0.68) ALDH1A1LMNACA1CA2CA12
SCHEMBL196223 0.69 CA12 (0.68) ALDH1A1HPGDMAPTCA1CA2
SCHEMBL25254029 0.69 LMNA (0.45) ALDH1A1HPGDMAPTLMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis JOHNSON THEODORE O JR (US) 2005-05-12 US disclosed
US-6872745-B2 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2005-03-29 US disclosed
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis JOHNSON THEODORE O (US) 2003-12-04 US disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
EP-1274682-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2002-01-17 US disclosed
WO-2001079167-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 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-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SARNP ALDH1A1 4161/4885HPGD 2825/4885MAPT 1852/4885
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis RNASEL, SARNP, RNASEH1 ALDH1A1 3835/4885HPGD 3379/4885MAPT 2045/4885
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SERPINB1 ALDH1A1 3708/4885HPGD 2900/4885MAPT 2014/4885

“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.