SCHEMBL3090780

SCHEMBL3090780

O=C(CC(O)Cc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
DPP4 P27487 1/20 0.54
TRPA1 O75762 1/20 0.51
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
PDPK1 O15530 1/20 0.50
KMO O15229 1/20 0.50
MMP2 P08253 3/20 0.47
MMP3 P08254 3/20 0.47
MMP9 P14780 3/20 0.47
MMP13 P45452 2/20 0.47
MMP1 P03956 1/20 0.47
MMP8 P22894 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
HSD11B1 P28845 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 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
SCHEMBL3102740 0.88 TRPA1 (0.59) MAPTDPP4TRPA1KMOCES1
SCHEMBL3101794 0.85 DPP4 (0.72) DPP4TRPA1PPARGPPARAKMO
4-Chloro-Benzoic Acid SCHEMBL10391602 0.83 ALOX15 (0.59) MAPTL3MBTL1TRPA1PPARGPPARA
SCHEMBL9554501 0.83 KMO (0.72) MAPTL3MBTL1PPARGPPARAKMO
SCHEMBL7319589 0.83 KMO (0.72) MAPTL3MBTL1PPARGPPARAKMO
SCHEMBL3105307 0.81 HPGD (0.54) MAPTPPARGPPARAPOLBGSK3B
SCHEMBL24157467 0.80 MAPT (0.55) MAPTL3MBTL1PPARGPPARAPDPK1
SCHEMBL3102314 0.80 NPC1 (0.61) MAPTL3MBTL1DPP4PPARGPPARA
SCHEMBL24157470 0.80 MAPT (0.55) MAPTL3MBTL1PPARGPPARAPDPK1
SCHEMBL6464257 0.78 PPARG (0.53) L3MBTL1TRPA1PPARGPPARACYP2C9

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 MAPT 4143/4885L3MBTL1 4833/4885DPP4 1946/4885

“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.