SCHEMBL4124805

SCHEMBL4124805

CC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 1.00
SENP8 Q96LD8 1/20 1.00
SENP7 Q9BQF6 1/20 1.00
SENP6 Q9GZR1 1/20 1.00
L3MBTL1 Q9Y468 2/20 0.71
SLC26A4 O43511 7/20 0.67
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
LMNA P02545 2/20 0.67
BLM P54132 1/20 0.67
ATM Q13315 1/20 0.67
HTT P42858 1/20 0.67
PKM P14618 1/20 0.60
ROCK1 Q13464 1/20 0.58
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
ANO1 Q5XXA6 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL24470655 0.91 CASP3 (0.84) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29713158 0.91 CASP3 (0.84) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470537 0.89 CASP3 (0.80) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470816 0.89 CASP3 (0.80) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL30569396 0.89 CASP3 (0.80) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470563 0.87 CASP3 (0.77) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL15897959 0.87 CASP3 (0.77) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL26693515 0.87 L3MBTL1 (0.80) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL30659906 0.87 L3MBTL1 (0.80) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470593 0.85 CASP3 (0.73) CASP3SENP8SENP7SENP6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (3 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 CASP3 33/4885SENP8 1302/4885SENP7 2269/4885
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 CASP3 800/4885SENP8 2877/4885SENP7 2115/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CASP3 33/4885SENP8 1302/4885SENP7 2269/4885

“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.