SCHEMBL205724

SCHEMBL205724

CC(C(=O)O)c1coc2cc(O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PIM1 P11309 1/20 0.45
HPGD P15428 5/20 0.44
HSD17B10 Q99714 5/20 0.44
ALDH2 P05091 3/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
CYP3A4 P08684 3/20 0.44
TP53 P04637 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HDAC6 Q9UBN7 2/20 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
SCHEMBL3920610 0.84 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20588783 0.83 PTGS2 (0.44) MAPTTTRKMT2AMEN1
SCHEMBL205244 0.81 POLB (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5762115 0.80 MAOB (0.49) POLBMAOAMAOB
SCHEMBL8961041 0.79 HSD17B3 (0.56) KDM4EALDH1A1HPGDHSD17B10ALDH2
SCHEMBL28357995 0.78 CYP3A4 (0.48) KDM4EALDH1A1SMN1; SMN2NPC1MAOA
SCHEMBL1390483 0.78 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7539654 0.77 KDM4E (0.47) KDM4EALDH1A1MAOAMAOBKMT2A
SCHEMBL17431383 0.75 NPC1 (0.49) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL1390473 0.75 PPARA (0.50) ALDH1A1SMN1; SMN2NPC1RAB9APOLB

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-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
EP-2431367-A2 Fused cyclic compounds as GPR40 receptor modulators Takeda Pharmaceutical Company Limited (JP) 2012-03-21 EP disclosed
US-20120046338-A1 FUSED CYCLIC COMPOUNDS YASUMA TSUNEO (JP) 2012-02-23 US disclosed
EP-2041123-B1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-02-01 EP disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-8088821-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-03 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 US disclosed
US-7732626-B2 Fused cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-20100004312-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
US-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 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 (5 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB KDM4E 1415/4885ALDH1A1 762/4885SMN1; SMN2 787/4885
US-20100004312-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 KDM4E 3536/4885ALDH1A1 3122/4885SMN1; SMN2 4048/4885
US-20120046338-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 KDM4E 3536/4885ALDH1A1 3122/4885SMN1; SMN2 4048/4885
US-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR KDM4E 3052/4885ALDH1A1 4152/4885SMN1; SMN2 3722/4885
US-20100197761-A1 Fused cyclic compounds GPR119, GLP1R, GPR65 KDM4E 3536/4885ALDH1A1 3122/4885SMN1; SMN2 4048/4885

“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.