SCHEMBL9975659

SCHEMBL9975659

CCCCCCCCCC(CCCCCCCCC#N)C(CCCCCCCCC)CCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.56
CTSS P25774 1/20 0.56
SIRT2 Q8IXJ6 12/20 0.55
SIRT1 Q96EB6 9/20 0.55
SIRT3 Q9NTG7 6/20 0.54
TGM2 P21980 1/20 0.52
HTT P42858 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
FOLH1 Q04609 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9975587 0.92 SIRT2 (0.62) SIRT2SIRT1SIRT3TGM2HTT
SCHEMBL9975598 0.89 SIRT2 (0.52) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL9975582 0.88 SIRT2 (0.58) SIRT2SIRT1SIRT3TGM2HTT
SCHEMBL9975581 0.88 SIRT2 (0.58) SIRT2SIRT1SIRT3TGM2HTT
SCHEMBL7604913 0.87 HTT (0.65) CTSLCTSSTGM2HTTDPP8
SCHEMBL28969063 0.85 HTT (0.68) SIRT2SIRT1SIRT3TGM2HTT
SCHEMBL16692630 0.85 HTT (0.68) SIRT2SIRT1SIRT3TGM2HTT
SCHEMBL10659971 0.85 HTT (0.68) SIRT2SIRT1SIRT3TGM2HTT
SCHEMBL10599151 0.85 HTT (0.68) SIRT2SIRT1SIRT3TGM2HTT
SCHEMBL11973884 0.85 HTT (0.68) SIRT2SIRT1SIRT3TGM2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157562-A1 UREA-URETHANE GELLANT COMPOSITIONS WITH CONTROLLED MOLECULAR WEIGHT AND METHODS OF PREPARATION XEROX CORPORATION (US) 2012-06-21 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-20120157562-A1 UREA-URETHANE GELLANT COMPOSITIONS WITH CONTROLLED MOLECULAR WEIGHT AND METHODS OF PREPARATION UGP2, PUF60, UBA7 CTSL 4850/4885CTSS 4624/4885SIRT2 2814/4885

“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.