SCHEMBL3096470

SCHEMBL3096470

COc1ccc(C(=O)CC(O)Cc2ccccc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
TDP1 Q9NUW8 2/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
GSK3B P49841 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL3091528 0.86 KMT2A (0.48) L3MBTL1TDP1HTTPOLBNPSR1
SCHEMBL3102314 0.82 NPC1 (0.61) L3MBTL1TDP1NPC1RAB9AGSK3B
SCHEMBL31040323 0.80 L3MBTL1 (0.72) L3MBTL1TDP1HTTKMT2AKCNH2
SCHEMBL9057785 0.80 L3MBTL1 (0.72) L3MBTL1TDP1HTTKMT2AKCNH2
SCHEMBL28822538 0.80 HTT (0.49) L3MBTL1HTTPOLBNPSR1KMT2A
SCHEMBL3105574 0.80 LDHA (0.56) L3MBTL1HTTPOLBKMT2ANPC1
SCHEMBL8853339 0.79 NPC1 (0.65) L3MBTL1TDP1HTTKMT2AKCNH2
SCHEMBL3097605 0.78 MMP3 (0.48) L3MBTL1TDP1KMT2ANPC1RAB9A
SCHEMBL3102764 0.77 LMNA (0.71) HTTKMT2ANPC1RAB9AALDH1A1
SCHEMBL9480536 0.77 IDO1 (0.52) L3MBTL1HTTKMT2ACYP1A2HPGD

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
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 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-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY HSD17B11, HSD17B7, CYP19A1 L3MBTL1 4833/4885TDP1 4753/4885HTT 4318/4885

“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.