SCHEMBL5750152

SCHEMBL5750152

CCOC(=O)c1ccc2cc(OCc3ccccc3)c(OC)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
SRD5A1 P18405 2/20 0.52
SRD5A2 P31213 2/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAOB P27338 2/20 0.51
HSD17B2 P37059 1/20 0.50
RXRA P19793 1/20 0.49
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
ATM Q13315 1/20 0.48
PPIA P62937 2/20 0.48
APP P05067 1/20 0.47

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
SCHEMBL340393 0.88 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL5680100 0.86 HSD17B2 (0.65) NPC1RAB9ASMN1; SMN2HSD17B2PDGFRB
SCHEMBL4403626 0.83 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL9597843 0.82 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2HPGDMAOB
SCHEMBL4279981 0.81 HSD17B10 (0.61) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL1609793 0.80 F2 (0.53) NPC1RAB9ASMN1; SMN2HPGDSRD5A1
SCHEMBL2087641 0.80 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL13440181 0.80 FFAR4 (0.58) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL873776 0.80 SMPD1 (0.70) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL3809016 0.79 F2 (0.52) NPC1RAB9ASMN1; SMN2HPGDSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 EP 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-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 NPC1 1017/4885RAB9A 2986/4885SMN1; SMN2 3733/4885

“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.