SCHEMBL5215684

SCHEMBL5215684

COc1cc2c(Oc3ccc(CC4CCCC4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
PRSS12 P56730 1/20 0.37
ELANE P08246 1/20 0.37
DYRK1A Q13627 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ESR1 P03372 2/20 0.35
EDNRA P25101 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LPAR1 Q92633 3/20 0.35
LPAR5 Q9H1C0 3/20 0.35
SERPINE1 P05121 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5217692 0.88 PARP10 (0.46) PIK3CDELANEDYRK1AESR1
SCHEMBL4771835 0.85 ESR1 (0.42) KMT2AMEN1DYRK1AESR1
SCHEMBL5210876 0.85 DYRK1A (0.38) PIK3CDKMT2AMEN1PRSS12DYRK1A
SCHEMBL5216211 0.84 SMN1; SMN2 (0.39) PIK3CDKMT2AMEN1PRSS12ELANE
SCHEMBL5214032 0.84 SMN1; SMN2 (0.39) PIK3CDKMT2AMEN1PRSS12ELANE
SCHEMBL5215855 0.84 ESR1 (0.42) KMT2AMEN1DYRK1AESR1
SCHEMBL6843911 0.84 ESR1 (0.42) KMT2AMEN1DYRK1AESR1
SCHEMBL5212869 0.83 ESR1 (0.42) PIK3CDKMT2AMEN1DYRK1AESR1
SCHEMBL5742938 0.83 LPAR1 (0.44) POLBDYRK1AESR1EDNRAALDH1A1
SCHEMBL5213354 0.82 MAPT (0.38) KMT2AMEN1ESR1EDNRALPAR1

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 3187/4885KMT2A 2814/4885MEN1 4169/4885

“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.