SCHEMBL5752176

SCHEMBL5752176

COc1ccc2cc(Br)ccc2c1C(C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
RXFP1 Q9HBX9 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 3/20 0.39
APLNR P35414 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NCEH1 Q6PIU2 2/20 0.34
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL29262548 0.78 LMNA (0.51) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL5750185 0.76 LMNA (0.52) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL5752170 0.75 LMNA (0.42) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL5750952 0.73 APAF1 (0.34) L3MBTL1TSHR
SCHEMBL7192013 0.73 LMNA (0.40) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL5749686 0.72 CYP3A4 (0.41)
SCHEMBL1414983 0.72 LMNA (0.42) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL4031697 0.72 NCEH1 (0.53) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL16621470 0.71 BACE1 (0.41) LMNAAPLNRRAB9A
SCHEMBL15442839 0.69 APLNR (0.41) APLNR

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 LMNA 3058/4885RXFP1 3175/4885SMN1; 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.