SCHEMBL4859451

SCHEMBL4859451

C=CCC1(CCCC)Cc2cc(OC)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP24A1 Q07973 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MPO P05164 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MAOB P27338 1/20 0.35
PRNP P04156 1/20 0.35
DYRK1A Q13627 1/20 0.35
MIF P14174 1/20 0.34
PPIB P23284 1/20 0.34
MAPK14 Q16539 1/20 0.34
BACE1 P56817 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
SCHEMBL4857308 0.90 SMN1; SMN2 (0.46) METAP1SMN1; SMN2CYP24A1MPOESR1
SCHEMBL6860603 0.89 METAP1 (0.47) METAP1SMN1; SMN2CA1CA2CA4
SCHEMBL9956484 0.84 SMN1; SMN2 (0.39) METAP1SMN1; SMN2CYP24A1CA1CA2
SCHEMBL6855815 0.84 METAP1 (0.43) METAP1SMN1; SMN2CA1CA2CA4
SCHEMBL4856946 0.82 SMN1; SMN2 (0.43) METAP1SMN1; SMN2CA1CA2CA4
SCHEMBL2419171 0.81 BACE1 (0.44) METAP1SMN1; SMN2CA1CA2CA4
SCHEMBL6862389 0.81 METAP1 (0.44) METAP1SMN1; SMN2CA1CA2CA4
SCHEMBL2417911 0.81 BACE1 (0.43) METAP1SMN1; SMN2CA1CA2CA4
SCHEMBL629836 0.80 SMN1; SMN2 (0.53) METAP1SMN1; SMN2CYP24A1MPOPRNP
SCHEMBL4853241 0.80 SMN1; SMN2 (0.50) METAP1SMN1; SMN2CYP24A1MPOPRNP

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-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-20060041003-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
EP-1551820-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-07-13 EP disclosed
WO-2004026887-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-04-01 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-20060041003-A1 Estrogen receptor modulators GPER1, ESR2, ESR1 METAP1 3319/4885SMN1; SMN2 1753/4885CYP24A1 319/4885

“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.