SCHEMBL1126402

SCHEMBL1126402

C=CN(Cc1ccccc1)C(=O)CCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
NPC1 O15118 3/20 0.44
AGER Q15109 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4073987 0.81 NPC1 (0.64) SLC6A4NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3333332 0.72 TDP1 (0.50) NPC1ALDH1A1MEN1KMT2ATDP1
SCHEMBL4067619 0.71 PKM (0.52) SLC6A4NPC1ALDH1A1MEN1KMT2A
SCHEMBL28398836 0.71 ALOX5 (0.48) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL28821061 0.71 RAB9A (0.57) NPC1ALDH1A1MEN1KMT2ATDP1
SCHEMBL3119603 0.71 NPC1 (0.49) NPC1ALDH1A1MEN1KMT2ATDP1
SCHEMBL3450460 0.71 EPHX2 (0.52) NPC1ALDH1A1MEN1KMT2ATDP1
SCHEMBL4209532 0.70 BCHE (0.49) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL9836108 0.70 NPC1 (0.54) NPC1AGERALDH1A1MEN1KMT2A
SCHEMBL10399883 0.69 MEN1 (0.50) SLC6A4AGERALDH1A1MEN1KMT2A

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-20110129434-A1 MOISTURIZING AGENT Cleagix, Res. Ltd. (JP) 2011-06-02 US disclosed
EP-2283807-A1 MOISTURIZING AGENT Celagix, Res. Ltd. (JP) 2011-02-16 EP disclosed
US-20090124706-A1 CONTACT LENS SOLUTION AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME TOMEY CO., LTD (JP) 2009-05-14 US disclosed
EP-2042912-A1 LIQUID AGENT FOR CONTACT LENS AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME Tomey Co., Ltd. (JP) 2009-04-01 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 (2 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-20090124706-A1 CONTACT LENS SOLUTION AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME CRYZ, AQP1, CRYAB SLC6A4 4120/4885NPC1 4365/4885AGER 3208/4885
US-20110129434-A1 MOISTURIZING AGENT MUC1, FUT5, B3GNT2 SLC6A4 4285/4885NPC1 1880/4885AGER 1578/4885

“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.