SCHEMBL3955737

SCHEMBL3955737

Cc1oc(C(C)(C)C)cc1[C]=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CYP26A1 O43174 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1747834 0.73
SCHEMBL820796 0.69 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL7406299 0.68 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL13295080 0.68 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL21718795 0.67 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL3102495 0.67 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL572624 0.65 L3MBTL1 (0.70) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL13692387 0.65 L3MBTL1 (0.70) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL573429 0.64 L3MBTL1 (0.68) L3MBTL1KMT2AMEN1PKMNPC1
SCHEMBL8224149 0.64 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511136-B2 Aminoindazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-31 US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 L3MBTL1 3461/4885KMT2A 1395/4885MEN1 2970/4885

“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.