SCHEMBL3914673

SCHEMBL3914673

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
CYP1A2 P05177 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2D6 P10635 2/20 0.57
MAPK1 P28482 2/20 0.57
CYP2C19 P33261 2/20 0.57
PGR P06401 1/20 0.57
HPGD P15428 1/20 0.57
SLC6A2 P23975 1/20 0.57
PDE4A P27815 1/20 0.57
HRH1 P35367 1/20 0.57
HTT P42858 1/20 0.57
SLC6A3 Q01959 1/20 0.57
PDE4D Q08499 1/20 0.57
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.50
KDM4E B2RXH2 4/20 0.49

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
SCHEMBL13612552 0.86 LMNA (0.50) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL6642396 0.85 ALDH1A1 (0.60) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL4317763 0.81 POLB (0.46) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL3921589 0.81 LMNA (0.71) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL3911888 0.81 MTNR1A (0.51) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL3914676 0.80 LMNA (0.57) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL13612562 0.80 PTGS1 (0.52) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL13612579 0.79 CYP1A2 (0.56) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL3921592 0.77 LMNA (0.57) LMNACYP1A2ALDH1A1CYP2D6MAPK1
SCHEMBL3913720 0.77 MTNR1A (0.68) LMNACYP1A2ALDH1A1CYP2D6MAPK1

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-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
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
EP-2032130-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2009-03-11 EP disclosed
WO-2007146136-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-12-21 WO 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 LMNA 315/4885CYP1A2 3909/4885ALDH1A1 1796/4885

“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.