SCHEMBL5871900

SCHEMBL5871900

COc1[c]c(OC)cc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 3/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PTGS2 P35354 4/20 0.38
ALOX5 P09917 2/20 0.38
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
ESR2 Q92731 2/20 0.37
BACE1 P56817 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL16758731 0.87 TDP1 (0.46) TDP1CYP3A4MAPTTP53SMN1; SMN2
SCHEMBL4853131 0.77 ABL1 (0.36) TDP1CYP3A4MAPTTP53SMN1; SMN2
SCHEMBL161441 0.74 ACHE (0.48) TDP1CYP3A4MAPTKDM4EALDH1A1
SCHEMBL19724 0.74 ALDH1A1 (0.56) CYP3A4TP53SMN1; SMN2NPC1MAPK1
SCHEMBL1569465 0.72 TSHR (0.37) TDP1MAPTNPC1MAPK1RAB9A
SCHEMBL9444242 0.72 ALDH1A1 (0.36) TDP1CYP3A4MAPTSMN1; SMN2MAPK1
SCHEMBL747022 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1715885 0.72 GPR35 (0.41) KDM4EALDH1A1TTRMEN1USP2
SCHEMBL1613539 0.72 ERN1 (0.33) TDP1CYP3A4MAPTPTGS2CA2
SCHEMBL19834833 0.72 MAPT (0.47) TDP1MAPTPTGS2CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020086895-A1 Methods of treating fungal infections CHU WAI-LAM ALEX (US) 2002-07-04 US claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
EP-1005338-A4 SUBSTITUTED AURONE DERIVATIVES PHYTERA INC (US) 2001-11-07 EP claimed
US-RE37094-E1 Heterocyclic substituted acylaminothiazoles, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2001-03-13 US claimed
EP-1005338-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 2000-06-07 EP claimed
WO-1999004789-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 1999-02-04 WO claimed
US-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP disclosed
US-20020086895-A1 Methods of treating fungal infections CHU WAI-LAM ALEX (US) 2002-07-04 US disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
EP-1005338-A4 SUBSTITUTED AURONE DERIVATIVES PHYTERA INC (US) 2001-11-07 EP disclosed
US-6307070-B1 FUNGICIDES PHYTERA, INC. 2001-10-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
EP-1005338-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 2000-06-07 EP disclosed
WO-1999004789-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 1999-02-04 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-20020086895-A1 Methods of treating fungal infections COXFA4L2, DPM1, ERG28 TDP1 2888/4885CYP3A4 970/4885MAPT 3552/4885
US-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 TDP1 727/4885CYP3A4 858/4885MAPT 2184/4885

“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.