SCHEMBL3687472

SCHEMBL3687472

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.66
MAPT P10636 5/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 1/20 0.64
MAOB P27338 7/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TNFRSF1A P19438 2/20 0.60
HSPD1 P10809 1/20 0.60
HSPE1 P61604 1/20 0.60
CYP1B1 Q16678 1/20 0.60
MAOA P21397 3/20 0.58
XDH P47989 2/20 0.58
P4HB P07237 1/20 0.58
CALM1 P0DP23 1/20 0.58
RAB9A P51151 1/20 0.58
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 1/20 0.57

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
SCHEMBL3687467 1.00 F3 (0.66) F3MAPTALDH1A1HPGDMAOB
SCHEMBL7000262 0.92 F3 (0.75) F3MAPTALDH1A1HPGDMAOB
SCHEMBL7000261 0.92 F3 (0.75) F3MAPTALDH1A1HPGDMAOB
SCHEMBL599210 0.85 F3 (0.66) F3MAPTALDH1A1HPGDMAOB
SCHEMBL599211 0.85 F3 (0.66) F3MAPTALDH1A1HPGDMAOB
SCHEMBL10938616 0.83 F3 (0.64) F3MAPTALDH1A1HPGDMAOB
SCHEMBL10938612 0.83 F3 (0.64) F3MAPTALDH1A1HPGDMAOB
SCHEMBL28342974 0.83 F3 (0.64) F3MAPTALDH1A1HPGDMAOB
SCHEMBL11879138 0.82 F3 (0.68) F3MAPTALDH1A1HPGDMAOB
SCHEMBL11879134 0.82 F3 (0.68) F3MAPTALDH1A1HPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 F3 757/4885MAPT 4240/4885ALDH1A1 3055/4885

“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.