SCHEMBL4434498

SCHEMBL4434498

CC(=O)OC(=O)CCCC[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
PTGS1 P23219 1/20 0.35
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGKA P23743 1/20 0.31

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
SCHEMBL614868 0.81 TSHR (0.50) ALDH1A1LMNAPTGS1TSHRTDP1
SCHEMBL3048368 0.80 TSHR (0.56) ALDH1A1MEN1LMNABLMHBB
SCHEMBL1539244 0.79 ALDH1A1 (0.47) ALDH1A1LMNAPTGS1TSHRTDP1
SCHEMBL7845680 0.79 ALDH1A1 (0.47) ALDH1A1LMNAPTGS1TSHRTDP1
SCHEMBL338444 0.79 ALDH1A1 (0.47) ALDH1A1LMNAPTGS1TSHRTDP1
SCHEMBL28687285 0.79 ALDH1A1 (0.47) ALDH1A1LMNAPTGS1TSHRTDP1
SCHEMBL11514647 0.79 ALDH1A1 (0.47) ALDH1A1LMNAPTGS1TSHRTDP1
SCHEMBL1539265 0.79 ALDH1A1 (0.47) ALDH1A1LMNAPTGS1TSHRTDP1
SCHEMBL11830731 0.78 TSHR (0.54) ALDH1A1MEN1LMNABLMHBB
SCHEMBL11830603 0.78 TSHR (0.54) ALDH1A1MEN1LMNABLMHBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114957-A2 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA Laboratories Limited (IN) 2009-11-11 EP claimed
US-20080188663-A1 Process for the preparation of crystalline clopidogrel hydrogen sulphate Form I IPCA LABORATORIES LIMITED (IN) 2008-08-07 US claimed
WO-2008093357-A2 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA LABORATORIES LIMITED (IN) 2008-08-07 WO claimed

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-20080188663-A1 Process for the preparation of crystalline clopidogrel hydrogen sulphate Form I CYP2S1, CYP2F1, VKORC1L1 ALDH1A1 1578/4885MEN1 4084/4885LMNA 4376/4885

“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.