SCHEMBL6605597

SCHEMBL6605597

COc1cccc(C=O)c1OCC=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TLR2 O60603 1/20 0.53
ERN1 O75460 1/20 0.53
TLR1 Q15399 1/20 0.53
TLR6 Q9Y2C9 1/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 3/20 0.45
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8876032 0.88 SMN1; SMN2 (0.59) SRCNPC1RAB9ATLR2ERN1
SCHEMBL14172740 0.87 KDM4E (0.60) SRCNPC1RAB9ATLR2ERN1
SCHEMBL7494720 0.85 ALDH1A1 (0.44) SRCNPC1RAB9ATLR2ERN1
SCHEMBL1125257 0.85 SRC (0.58) SRCNPC1RAB9ATLR2ERN1
SCHEMBL4598936 0.84 TLR2 (0.55) SRCNPC1RAB9ATLR2ERN1
SCHEMBL3213856 0.83 SRC (0.56) SRCNPC1RAB9ATLR2ERN1
SCHEMBL637742 0.83 NPC1 (0.61) SRCNPC1RAB9ATLR2ERN1
SCHEMBL11290127 0.83 SRC (0.50) SRCNPC1RAB9ATLR2ERN1
SCHEMBL11290130 0.83 SRC (0.50) SRCNPC1RAB9ATLR2ERN1
SCHEMBL7403987 0.83 NPC1 (0.47) SRCNPC1RAB9ATLR2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257548-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
US-6455561-B1 ADMINISTERING BENZOFURAN DERIVATIVE FOR THERAPY OF DISEASE STATE THAT IS CAPABLE OF BEING MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2002-09-24 US disclosed
US-20020022645-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2002-02-21 US disclosed
US-6331556-B2 BENZOFURAN-4-CARBOXYLIC ACID AMIDE DERIVATIVES USED AS PHOSPHODIESTERASE IV OR TUMOR NECROSIS FACTOR INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2001-12-18 US disclosed
US-20010031777-A1 Heterocyclic compounds and their therapeutic use DARWIN DISCOVERY LIMITED (GB) 2001-10-18 US disclosed
EP-1054884-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2000-11-29 EP disclosed
US-6066657-A Benzofuran-4-carboxamides and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-23 US disclosed
WO-1999040085-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1999-08-12 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-20010031777-A1 Heterocyclic compounds and their therapeutic use CYP2F1, CYP11B2, CYP3A7 SRC 1276/4885NPC1 42/4885RAB9A 771/4885
US-20020022645-A1 Heterocyclic compounds and their therapeutic use EPX, MPO, PDE3B SRC 2028/4885NPC1 1873/4885RAB9A 2202/4885

“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.