SCHEMBL3922201

SCHEMBL3922201

CNC(=O)CCCCC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
RECQL P46063 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HSP90AA1 P07900 1/20 0.35
FAAH O00519 2/20 0.34
GAA P10253 1/20 0.34
NAMPT P43490 1/20 0.34
MTNR1A P48039 1/20 0.33
MCL1 Q07820 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 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
SCHEMBL10253845 0.98 ALDH1A1 (0.44) ALDH1A1LMNACNR1CNR2RECQL
SCHEMBL195634 0.98 ALDH1A1 (0.44) ALDH1A1LMNACNR1CNR2RECQL
SCHEMBL3917890 0.98 ALDH1A1 (0.44) ALDH1A1LMNACNR1CNR2RECQL
SCHEMBL12745317 0.93 LMNA (0.44) ALDH1A1LMNACNR1CNR2RECQL
SCHEMBL24469051 0.87 CASP2 (0.46) ALDH1A1RECQLFAAHNAMPTMEN1
SCHEMBL9482041 0.83 LMNA (0.48) ALDH1A1LMNACNR1CNR2MCL1
SCHEMBL7753090 0.83 LMNA (0.57) ALDH1A1LMNARECQLHDAC3HDAC1
SCHEMBL14454660 0.82 HDAC1 (0.61) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18738819 0.81 KDM4E (0.47) ALDH1A1CNR1CNR2RECQLHDAC3
SCHEMBL20887100 0.80 CTSD (0.48) ALDH1A1RECQLHDAC3HDAC1HDAC2

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
US-20230302091-A1 Combination Therapy with Controlled-Release CNP Agonists ASCENDIS PHARMA GROWTH DISORDERS AS (DK) 2023-09-28 US disclosed
EP-3733683-A1 NUCLEOSIDE ANALOGUE, PREPARATION METHOD AND APPLICATION GeneMind Biosciences Company Limited (CN) 2020-11-04 EP disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
EP-2032527-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-03-11 EP disclosed
WO-2007144281-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2007-12-21 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 (4 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B ALDH1A1 2805/4885LMNA 3053/4885CNR1 3112/4885
US-20230302091-A1 Combination Therapy with Controlled-Release CNP Agonists CNP, NPR1, NGF ALDH1A1 3630/4885LMNA 792/4885CNR1 39/4885
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 ALDH1A1 1506/4885LMNA 2037/4885CNR1 70/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885LMNA 4130/4885CNR1 4518/4885

“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.