SCHEMBL1742372

SCHEMBL1742372

COc1ccc2c(-c3ccccc3)coc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 1.00
MAPT P10636 9/20 0.78
ALDH1A1 P00352 9/20 0.78
NPC1 O15118 8/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
RAB9A P51151 7/20 0.78
KDM4E B2RXH2 5/20 0.78
MEN1 O00255 5/20 0.78
KMT2A Q03164 5/20 0.78
TP53 P04637 4/20 0.78
CYP3A4 P08684 4/20 0.78
HPGD P15428 4/20 0.78
XDH P47989 1/20 0.58
POLB P06746 2/20 0.57
MAPK1 P28482 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
GAA P10253 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
STAT1 P42224 1/20 0.57

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
SCHEMBL762092 0.88 MAPT (1.00) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL28601511 0.87 PIN1 (0.77) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL4745653 0.84 PIN1 (0.73) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL8481488 0.84 PIN1 (0.73) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL20782412 0.81 PIN1 (0.68) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL22445073 0.80 PIN1 (0.67) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL28254050 0.80 RAB9A (0.80) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL11730519 0.80 PIN1 (0.67) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL6560178 0.80 PIN1 (0.66) PIN1MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL29068825 0.79 MAPT (0.80) PIN1MAPTALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388255-A1 Polysubstituted benzofurans and medicinal applications thereof Ikerchem, S.L. (ES) 2011-11-23 EP claimed
US-8038466-B1 Power receptacle with enlarged heat dissipation path formed on mating face and power connector assembly thereof ALLTOP ELECTRONICS (SUZHOU) CO., LTD (CN) 2011-10-18 US claimed
US-8835659-B2 Polysubstituted benzofurans and medicinal applications thereof IKERCHEM, S.L. (ES) 2014-09-16 US disclosed
US-20130217730-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF IKERCHEM, S.L. (ES) 2013-08-22 US disclosed
EP-2569292-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF Ikerchem, S.L. (ES) 2013-03-20 EP disclosed
EP-2388255-A1 Polysubstituted benzofurans and medicinal applications thereof Ikerchem, S.L. (ES) 2011-11-23 EP disclosed
WO-2011141458-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF IKERCHEM, S.L. (ES) 2011-11-17 WO disclosed
US-8038466-B1 Power receptacle with enlarged heat dissipation path formed on mating face and power connector assembly thereof ALLTOP ELECTRONICS (SUZHOU) CO., LTD (CN) 2011-10-18 US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
US-4022908-A Use of certain 2-nitro-3-phenyl-alkoxybenzofurans in inhibiting growth of microorganisms and intermediates in the synthesis of said benzofurans RIKER LABORATORIES, INC. (US) 1977-05-10 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 (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-20130217730-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF AGER, TFEB, FPGS PIN1 1761/4885MAPT 184/4885ALDH1A1 41/4885

“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.