SCHEMBL13612568

SCHEMBL13612568

COc1ccc2c(C(=O)c3ccccc3)c(O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 4/20 0.58
HPGD P15428 4/20 0.58
CYP2C19 P33261 3/20 0.58
HTT P42858 2/20 0.58
PGR P06401 2/20 0.58
SLC6A2 P23975 2/20 0.58
CYP2D6 P10635 1/20 0.58
PDE4A P27815 1/20 0.58
MAPK1 P28482 1/20 0.58
HRH1 P35367 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PDE4D Q08499 1/20 0.58
CYP3A4 P08684 4/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C9 P11712 2/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL3914511 0.90 ALDH1A1 (0.60) CYP1A2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL2453681 0.85 KDM4E (0.56) CYP1A2ALDH1A1HPGDCYP2C19TSHR
SCHEMBL13626145 0.83 MTNR1A (0.52) CYP1A2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL23640287 0.82 CYP3A4 (0.56) CYP1A2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL13612581 0.82 ALDH1A1 (0.65) CYP1A2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL13612562 0.81 PTGS1 (0.52) CYP1A2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL13626146 0.79 MTNR1A (0.48) CYP1A2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL7708564 0.79 KDM4E (0.69) CYP1A2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL3902536 0.77 LMNA (0.77) CYP1A2ALDH1A1LMNAHPGDCYP2C19
SCHEMBL3921589 0.77 LMNA (0.71) CYP1A2ALDH1A1LMNAHPGDCYP2C19

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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
WO-2007146136-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-12-21 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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN1, KCNN3, KCNN2 CYP1A2 3909/4885ALDH1A1 1796/4885LMNA 315/4885

“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.