SCHEMBL17427770

SCHEMBL17427770

CCCc1ccc(CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.60
THRB P10828 2/20 0.60
HTT P42858 2/20 0.59
ATM Q13315 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 2/20 0.58
RECQL P46063 1/20 0.58
KDM4E B2RXH2 1/20 0.54
TAAR1 Q96RJ0 3/20 0.46
MAPK1 P28482 1/20 0.43
PLK1 P53350 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38

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
SCHEMBL9891049 0.91 PKM (0.60) PKMTHRBHTTATMMAPT
SCHEMBL8538203 0.89 ATM (0.68) PKMTHRBHTTATMMAPT
SCHEMBL903628 0.89 ATM (0.68) PKMTHRBHTTATMMAPT
SCHEMBL6503711 0.89 PKM (0.57) PKMTHRBHTTATMMAPT
SCHEMBL5991929 0.89 ALDH1A1 (0.74) PKMTHRBHTTATMMAPT
SCHEMBL6506349 0.87 ALDH1A1 (0.64) PKMTHRBHTTATMMAPT
SCHEMBL15199327 0.86 ALDH1A1 (0.56) PKMTHRBHTTATMMAPT
SCHEMBL12949944 0.86 ATM (0.64) PKMTHRBHTTATMMAPT
SCHEMBL16143376 0.86 ATM (0.56) PKMTHRBHTTATMMAPT
SCHEMBL8538518 0.85 ALDH1A1 (0.66) PKMTHRBHTTATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815772-B2 Process for the preparation of 2-amino-1,3-propane diol compounds and salts thereof BIOCON LIMITED (IN) 2017-11-14 US disclosed
US-20160009634-A1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LIMITED (IN) 2016-01-14 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-20160009634-A1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF ADH1C, DRD2, ADH1A PKM 2711/4885THRB 4402/4885HTT 3416/4885

“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.