SCHEMBL5677134

SCHEMBL5677134

CC1(C)C(=O)C(C)(C)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.50
PDK4 Q16654 2/20 0.50
PGR P06401 6/20 0.39
CYP26A1 O43174 1/20 0.37
CYP3A4 P08684 1/20 0.37
RARA P10276 1/20 0.37
LMNA P02545 2/20 0.37
ELANE P08246 1/20 0.37
HTR2A P28223 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK3 Q15120 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL17084888 0.90 PDK2 (0.43) PDK2PDK4PGRCYP26A1CYP3A4
SCHEMBL10758620 0.82 PDK2 (0.50) PDK2PDK4PGRLMNAELANE
SCHEMBL461770 0.81 LMNA (0.47) PDK2PDK4PGRCYP3A4LMNA
SCHEMBL29392540 0.81 HTR2A (0.48) PDK2PDK4PGRLMNAHTR2A
SCHEMBL1627657 0.81 HTR2A (0.48) PDK2PDK4PGRLMNAHTR2A
Ammonia Solution, Strong SCHEMBL11465690 0.78 HTR2A (0.46) PDK2PDK4PGRLMNAHTR2A
SCHEMBL22973341 0.76 PDK2 (0.36) PDK2PDK4CYP3A4PDK1PDK3
SCHEMBL19204408 0.75 CHRM2 (0.53) PDK2PDK4CYP3A4LMNAHTT
SCHEMBL31001030 0.74 PDK2 (0.43) PDK2PDK4PGRCYP3A4LMNA
SCHEMBL29085489 0.73 HTR2A (0.43) PDK2PDK4PGRLMNAHTR2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872590-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-11-14 EP disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 EP disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 WO disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
US-5055622-A For treating neoplasms and dermatoses HOFFMANN-LA ROCHE INC. (US) 1991-10-08 US disclosed
US-5030764-A Antitumor agents; treatment of skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5030765-A Skin disorders, anititumor agents HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5001276-A Novel tetrahydronaphthalene and indane derivatives HOFFMANN-LA ROCHE INC. (US) 1991-03-19 US disclosed
US-4990703-A Novel tetrahydronaphthalene and indane derivatives HOFFMANN-LA ROCHE INC. (US) 1991-02-05 US disclosed
US-4935560-A ANTITUMOR AGENTS; SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-06-19 US disclosed
US-4870219-A NEOPLASMS, DERMATOSES HOFFMANN-LA ROCHE INC. (US) 1989-09-26 US disclosed
US-4599347-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1986-07-08 US disclosed
US-4554280-A ANTISECRETORY AGENTS, ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-11-19 US disclosed
US-4435406-A 2-PYRIDYL DERIVATIVES OF 1,3-DIOXOLO(4,5-F)BENZIMIDAZOLE RING COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1984-03-06 US 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 PDK2 2330/4885PDK4 2670/4885PGR 3351/4885

“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.