SCHEMBL5680100

SCHEMBL5680100

CCOC(=O)c1ccc2cc(OC)c(OC)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.65
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.52
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5750863 0.91 HSD17B2 (0.71) HSD17B2PDGFRBPDGFRAMAPTMEN1
SCHEMBL9979785 0.88 CA12 (0.62) HSD17B2MAPTMEN1KMT2ANPC1
SCHEMBL707407 0.88 CA12 (0.67) HSD17B2MAPTMEN1KMT2ARAB9A
SCHEMBL1960994 0.86 CA12 (0.65) HSD17B2MAPTMEN1KMT2ANPC1
SCHEMBL5750152 0.86 NPC1 (0.56) HSD17B2PDGFRBPDGFRANPC1RAB9A
SCHEMBL9698077 0.85 KDM4E (0.62) HSD17B2MAPTGAANPC1RAB9A
SCHEMBL16259100 0.85 CA12 (0.59) HSD17B2MEN1KMT2ARAB9ACA12
SCHEMBL1660365 0.85 HSD17B2 (0.76) HSD17B2MAPTMEN1GAAKMT2A
SCHEMBL30506315 0.85 HSD17B2 (0.76) HSD17B2MAPTMEN1GAAKMT2A
SCHEMBL2761208 0.83 CA12 (0.57) HSD17B2MAPTMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104478723-A Method for synthesizing naphthalene derivative and benzo-heterocycle compounds UNIV SHAANXI NORMAL 2015-04-01 CN disclosed
US-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
EP-1227085-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR TAKEDA PHARMACEUTICAL (JP) 2006-03-15 EP disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 EP disclosed
US-6800778-B1 OPTICALLY ACTIVE CYCLIC PHOSPHORUS COMPOUND USED AS REAGENT FOR OPTICAL RESOLUTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-05 US disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 US disclosed
US-6573289-B1 Naphthalene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-03 US disclosed
EP-1227085-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 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 (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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 HSD17B2 7/4885PDGFRB 3232/4885PDGFRA 3753/4885

“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.