SCHEMBL5185155

SCHEMBL5185155

COc1ccc2c3ccccc3n(CCC(C)(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMPD1 P17405 4/20 0.47
PSEN1 P49768 10/20 0.46
PSEN2 P49810 10/20 0.46
APH1B Q8WW43 10/20 0.46
NCSTN Q92542 10/20 0.46
APH1A Q96BI3 10/20 0.46
PSENEN Q9NZ42 10/20 0.46
DYRK1A Q13627 2/20 0.46
HASPIN Q8TF76 1/20 0.44
GRM2 Q14416 1/20 0.44
P2RX4 Q99571 1/20 0.43

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
SCHEMBL28948755 0.84 DYRK1A (0.58) KDM4EMEN1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL8756541 0.81 HASPIN (0.54) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL23148493 0.80 GRIK2 (0.56) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL27772057 0.80 SMPD1 (0.52) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL8867584 0.79 KDM4E (0.53) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL2333735 0.78 SMPD1 (0.54) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL28273388 0.78 PSEN1 (0.58) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5185105 0.77 TSPO (0.49) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL1180482 0.76 MEN1 (0.71) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5186287 0.76 PSEN1 (0.45) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293558-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2007-12-20 US claimed
EP-1802299-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP claimed
WO-2006044425-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 WO claimed
US-20070293558-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
US-20070293558-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
US-20070293558-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
EP-1802299-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP disclosed
WO-2006044425-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 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-20070293558-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNH2, KCNJ11, KCNN1 KDM4E 1362/4885MEN1 917/4885ALDH1A1 938/4885

“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.