SCHEMBL13612552

SCHEMBL13612552

COc1ccc2c(C(=O)c3ccccc3)ccc(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
HRH1 P35367 1/20 0.50
HTT P42858 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MTNR1A P48039 4/20 0.47
MTNR1B P49286 3/20 0.47

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
SCHEMBL3914673 0.86 LMNA (0.57) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL4317763 0.76 POLB (0.46) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL3921589 0.76 LMNA (0.71) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL4654634 0.75 KDM4E (0.50) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL15106619 0.74 ALDH1A1 (0.61) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL7043694 0.74 ALDH1A1 (0.61) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL9452160 0.73 ALDH1A1 (0.52) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL3921592 0.72 LMNA (0.57) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL17171779 0.72 ELANE (0.61) LMNAALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL6642396 0.72 ALDH1A1 (0.60) LMNAALDH1A1MAPK1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 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 (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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN1, KCNN3, KCNN2 LMNA 315/4885ALDH1A1 1796/4885MAPK1 817/4885

“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.