SCHEMBL3105307

SCHEMBL3105307

COc1ccc(CC(O)CC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
KMT2A Q03164 3/20 0.51
KCNH2 Q12809 1/20 0.50
FPR2 P25090 1/20 0.50
LDHA P00338 1/20 0.49
CNR2 P34972 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
GSK3B P49841 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL3105574 0.93 LDHA (0.56) KMT2ALDHAPPARGPPARAMAPT
SCHEMBL3085006 0.86 LDHA (0.49) KMT2ALDHAMEN1KDM4EALDH1A1
SCHEMBL3102314 0.86 NPC1 (0.61) LDHAPPARGPPARAALDH1A1MAPT
SCHEMBL3104154 0.84 KMT2A (0.68) HPGDKMT2AFPR2LDHAPPARG
SCHEMBL3097956 0.83 LMNA (0.54) KMT2ALDHAALDH1A1GAAPOLB
SCHEMBL11522651 0.82 KMT2A (0.53) HPGDKMT2AKCNH2FPR2LDHA
SCHEMBL3102764 0.81 LMNA (0.71) KMT2ALDHAMEN1ALDH1A1GAA
SCHEMBL3090780 0.81 MAPT (0.60) PPARGPPARAMAPTPOLBGSK3B
SCHEMBL3102156 0.80 SMN1; SMN2 (0.50) KCNH2ALDH1A1GAAMAPTPOLB
SCHEMBL3099974 0.79 NPC1 (0.68) HPGDKMT2AKCNH2CNR2MEN1

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 HPGD 739/4885KMT2A 1899/4885KCNH2 1500/4885

“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.