SCHEMBL5218873

SCHEMBL5218873

COc1cc2c(Oc3ccc(C4(C)CCC(C)CC4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
RXRA P19793 1/20 0.35
ESR1 P03372 7/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
STING1 Q86WV6 3/20 0.32
SERPINE1 P05121 1/20 0.32
DYRK1A Q13627 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5215080 0.91 RARA (0.37) PIK3CDRXRAESR1HDAC3HDAC4
SCHEMBL5213831 0.84 RXRA (0.35) PIK3CDRXRAESR1HDAC3HDAC4
SCHEMBL5214658 0.82 PIK3CD (0.38) PIK3CDESR1STING1DYRK1AL3MBTL1
SCHEMBL5210876 0.82 DYRK1A (0.38) PIK3CDESR1MAPTDYRK1AL3MBTL1
SCHEMBL5214032 0.81 SMN1; SMN2 (0.39) PIK3CDESR1MAPTTSHRDYRK1A
SCHEMBL5216211 0.81 SMN1; SMN2 (0.39) PIK3CDESR1MAPTTSHRDYRK1A
SCHEMBL4762898 0.80 LMNA (0.47) RXRAESR1MAPTTSHRL3MBTL1
SCHEMBL5217788 0.80 ESR1 (0.40) PIK3CDESR1MAPTSTING1DYRK1A
SCHEMBL5214530 0.80 EDNRA (0.42) ESR1MAPTL3MBTL1
SCHEMBL5212869 0.80 ESR1 (0.42) PIK3CDESR1MAPTDYRK1ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 PIK3CD 3187/4885RXRA 1228/4885ESR1 911/4885

“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.