SCHEMBL3065007

SCHEMBL3065007

COc1ccc(C(C(=O)C(c2ccc(OC)cc2)c2cc(OC)c(OC)cc2OC)c2cc(OC)c(OC)cc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL3071474 0.85 LMNA (0.41) ALDH1A1NPC1LMNAHTTSMN1; SMN2
SCHEMBL7815176 0.75 ADRA1A (0.53) ALDH1A1GAACYP1A2CYP2C19LMNA
SCHEMBL4443109 0.75 CYP3A4 (0.56) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6504793 0.74 ACP3 (0.61) ALDH1A1GAACYP3A4NPC1HSD17B10
SCHEMBL485336 0.73 HSP90AA1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL9391336 0.71 CES2 (0.50) NPC1KMT2ARAB9ASMN1; SMN2CA12
SCHEMBL7044804 0.71 LDHA (0.55) ALDH1A1CYP1A2NPC1RAB9ACA1
SCHEMBL6494407 0.71 APP (0.52) GAACYP2C19NPC1LMNAHTT
SCHEMBL6504941 0.71 MAPT (0.44) ALDH1A1LMNAHTTTAS1R3TAS1R1
SCHEMBL3064489 0.70 CYP3A4 (0.61) ALDH1A1GAACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1743881-B1 Phenyl-benzyl-ketones RUANE MICHAEL (AU) 2010-12-22 EP disclosed
US-20100273891-A1 ISOFLAVONE METABOLITES Ruane, Michael (AU) 2010-10-28 US disclosed
US-7799955-B2 Isoflavone metabolites Ruane, Michael (AU) 2010-09-21 US disclosed
US-20090209655-A1 ISOFLAVONE METABOLITES G. J. CONSULTANTS PTY. LTD. (AU) 2009-08-20 US disclosed
US-20080125481-A1 ISOFLAVONE METABOLITES JOANNOU GEORGE EUSTACE 2008-05-29 US disclosed
EP-1743881-A1 Phenyl-benzyl-ketones G.J. Consultants Pty Ltd (AU) 2007-01-17 EP disclosed
EP-1189897-B1 ISOFLAVONE METABOLITES G J CONSULTANTS PTY LTD (AU) 2006-10-18 EP disclosed
US-7056952-B1 for example, 3'-hydroxy-dihydrodaidzein, 5-hydroxy-O-demethylangolesin; for treating hormone dependent conditions and other diseases and disorders; anticarcinogenic agents G.J. CONSULTANTS PTY. LTD. (AU) 2006-06-06 US disclosed
US-20050222248-A1 Isoflavone metabolites JOANNOU GEORGE E 2005-10-06 US disclosed
EP-1189897-A1 ISOFLAVONE METABOLITES G.J. Consultants Pty Ltd (AU) 2002-03-27 EP disclosed
WO-2000066576-A1 ISOFLAVONE METABOLITES G.J. CONSULTANTS PTY LTD (AU) 2000-11-09 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 (4 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-20050222248-A1 Isoflavone metabolites CYP19A1, ESR1, CYP21A2 ALDH1A1 1244/4885GAA 4172/4885CYP1A2 30/4885
US-20100273891-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 ALDH1A1 1124/4885GAA 4123/4885CYP1A2 37/4885
US-20090209655-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 ALDH1A1 1124/4885GAA 4123/4885CYP1A2 37/4885
US-20080125481-A1 ISOFLAVONE METABOLITES CYP19A1, ESR1, CYP21A2 ALDH1A1 1124/4885GAA 4123/4885CYP1A2 37/4885

“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.