SCHEMBL4730233

SCHEMBL4730233

COc1ccc2c(c1Cl)CC(CCF)C2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
CYP19A1 P11511 2/20 0.42
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2417918 0.86 ACHE (0.42) ACHECYP19A1HTR2CHTR2AHTR2B
SCHEMBL5612544 0.81 CYP19A1 (0.40) ACHECYP19A1HTR2CMAPT
SCHEMBL21887680 0.78 ACHE (0.69) ACHEHTR2CHTR2AHTR2BNOTUM
SCHEMBL5616667 0.75 KDM4E (0.40) ACHECYP19A1NOTUMMAPTKDM4E
SCHEMBL16552788 0.75 CYP19A1 (0.47) ACHECYP19A1MEN1CYP3A4MAPT
SCHEMBL16552796 0.73 CYP19A1 (0.44) ACHECYP19A1
SCHEMBL1658072 0.72 ACHE (0.47) ACHE
SCHEMBL2416616 0.71 ACHE (0.43) ACHECYP19A1HTR2C
SCHEMBL2420985 0.70 ACHE (0.42) ACHECYP19A1HTR2CKDM4E
SCHEMBL5952947 0.69 METAP1 (0.35) ACHEHTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057309-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008057309-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
EP-1819656-A2 SYNTHESIS OF 1,5-DISTRIBUTED-2-HYDROXY-GIBBATETRAEN-6-ONES Merck & Co., Inc. (US) 2007-08-22 EP disclosed
EP-1809594-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-25 EP disclosed
US-7151196-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-12-19 US disclosed
WO-2006050399-A2 SYNTHESIS OF 1,5-DISUBSTITUTED-2-HYDROXY-GIBBATETRAEN-6-ONES MERCK & CO., INC. (US) 2006-05-11 WO disclosed
WO-2006050402-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-05-11 WO disclosed
US-20060094779-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2006-05-04 US 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 (2 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-20060094779-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ACHE 642/4885CYP19A1 44/4885HTR2C 954/4885
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones ESR1, GPER1, CYP19A1 ACHE 1762/4885CYP19A1 3/4885HTR2C 852/4885

“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.