SCHEMBL5422932

SCHEMBL5422932

CC(C)c1[c]c(C(C)C)cc(OCCN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NPC1 O15118 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ RAB9A P51151 1/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ SCN1A P35498 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5416531 0.87 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL5426785 0.85 PSMB1 (0.56) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL5420560 0.85 MEN1 (0.49) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL5424829 0.78 MEN1 (0.58) MEN1KMT2AKDM4EKCNH2HRH3
Floredil SCHEMBL309848 0.77 ALDH1A1 (0.69) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL20877797 0.77 MEN1 (0.54) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL104326 0.77 MEN1 (0.70) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL13400756 0.75 MEN1 (0.55) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL10223315 0.75 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL13791665 0.75 MEN1 (0.55) MEN1KMT2ANPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099891-A1 Medicinal compositions and combinations DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-03 — — US disclosed
EP-1695706-A1 MEDICINAL COMPOSITIONS AND COMBINATIONS Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-08-30 — — EP disclosed
US-6420381-B1 ACYL-COA: CHOLESTEROL ACYL TRANSFERASE (ACAT) INHIBITORY ACTIVITY, AND IS USEFUL AS AN AGENT FOR TREATMENT OF HYPERLIPIDEMIA AND ATHEROSCLEROSIS. SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-07-16 — — US disclosed
EP-1104763-A1 NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-06 — — EP 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-20070099891-A1 Medicinal compositions and combinations HMGCR, APOB, CYP46A1 MEN1 2994/4885KMT2A 441/4885NPC1 52/4885

“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.

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