SCHEMBL13612563

SCHEMBL13612563

CCOC(=O)Cc1ccc2cc(OC)ccc2c1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MTNR1A P48039 1/20 0.46
PPARG P37231 1/20 0.45
CYP1A2 P05177 3/20 0.44
TSHR P16473 3/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
CYP2D6 P10635 2/20 0.42
PGR P06401 1/20 0.42

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
SCHEMBL13612557 0.92 HPGD (0.51) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13612562 0.87 PTGS1 (0.52) HPGDALDH1A1KDM4EL3MBTL1MTNR1A
SCHEMBL13626145 0.87 MTNR1A (0.52) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13612551 0.84 MTNR1A (0.62) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL14373766 0.83 ALDH1A1 (0.50) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13626146 0.80 MTNR1A (0.48) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL11778376 0.80 KDM4E (0.47) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL11776294 0.80 ALDH1A1 (0.47) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL11781055 0.80 ALDH1A1 (0.47) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL11780237 0.80 ALDH1A1 (0.47) HPGDALDH1A1KDM4EMAPTL3MBTL1

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 2 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
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 HPGD 281/4885ALDH1A1 1796/4885KDM4E 1226/4885

“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.