SCHEMBL4105656

SCHEMBL4105656

COc1ccc2c3c(n(CC(=O)C(C)(C)C)c2c1)CC(C)(C)CC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CNR2 P34972 3/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
TSHR P16473 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SSTR5 P35346 1/20 0.36
DYRK1A Q13627 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 2/20 0.35

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
SCHEMBL4117732 0.88 AKR1B1 (0.47) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3992329 0.84 HSD17B10 (0.49) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3988525 0.82 KDM4E (0.40) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4108440 0.82 KDM4E (0.40) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4104812 0.81 TSPO (0.39) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4103872 0.81 KDM4E (0.37) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4580656 0.81 KDM4E (0.36) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3985323 0.81 KDM4E (0.39) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4112361 0.81 PTGS1 (0.34) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4114936 0.80 PDE5A (0.38) ALDH1A1KDM4EMAPK1HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP claimed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP claimed
WO-2006044232-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 WO claimed
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP disclosed
US-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
US-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
US-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP disclosed
WO-2006044232-A1 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-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNH2, KCNN1, KCNH3 ALDH1A1 979/4885KDM4E 1326/4885MAPK1 512/4885

“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.