SCHEMBL4422957

SCHEMBL4422957

COc1ccc(C2Cc3ccc(OC)cc3C2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.65
METAP1 P53582 3/20 0.55
MAP2K3 P46734 1/20 0.52
CYP19A1 P11511 4/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAOA P21397 1/20 0.45
PTGS2 P35354 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL4358495 0.91 ACHE (0.61) ACHEMETAP1MAP2K3CYP19A1ALDH1A1
SCHEMBL7573550 0.88 METAP1 (0.56) ACHEMETAP1MAP2K3CYP19A1ALOX15
SCHEMBL9148955 0.84 CYP19A1 (0.59) ACHEMAP2K3CYP19A1ALOX15ALOX12
SCHEMBL29218130 0.81 MAP2K3 (0.47) ACHEMAP2K3CYP19A1ALOX15ALOX12
SCHEMBL1346365 0.81 ACHE (0.64) ACHEMETAP1MAP2K3CYP19A1CYP3A4
SCHEMBL9146594 0.79 CYP19A1 (0.63) METAP1CYP19A1ALDH1A1MAOBHTR2A
SCHEMBL3860892 0.79 ACHE (1.00) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL29894949 0.79 ACHE (1.00) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL4429729 0.78 MAP2K3 (0.56) ACHEMAP2K3CYP19A1ALOX15ALOX12
SCHEMBL16311356 0.78 ACHE (0.69) ACHEMETAP1CYP19A1ALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
EP-2074102-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-07-01 EP disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 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-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands ESR1, GPER1, ESR2 ACHE 2099/4885METAP1 4254/4885MAP2K3 600/4885

“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.