SCHEMBL7825503

SCHEMBL7825503

C=CCOC(=O)CC1(CNCl)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.33
EPHX2 P34913 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3394048 0.80 ALDH1A1 (0.51) ALDH1A1GAATSHREPHX2TDP1
SCHEMBL939773 0.80 ALDH1A1 (0.47) ALDH1A1GAATSHRUSP2LMNA
SCHEMBL612598 0.79 TDP1 (0.34) ALDH1A1GAATSHRTDP1
Hydrochloric Acid SCHEMBL612325 0.79 ALDH1A1 (0.50) ALDH1A1GAATSHREPHX2TDP1
SCHEMBL614902 0.75 TDP1 (0.33) ALDH1A1GAATDP1
SCHEMBL9341642 0.73 ALDH1A1 (0.37) ALDH1A1GAATSHREPHX2TDP1
SCHEMBL13481909 0.72 ALDH1A1 (0.57) ALDH1A1GAATSHRUSP2LMNA
SCHEMBL6545165 0.72 ALDH1A1 (0.38) ALDH1A1GAATSHREPHX2TDP1
SCHEMBL1076980 0.71 TSHR (0.39) ALDH1A1GAATSHREPHX2TDP1
SCHEMBL626671 0.70 TSHR (0.38) ALDH1A1GAATSHREPHX2TDP1

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
WO-2010075520-A1 PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-07-01 WO disclosed
US-20100160666-A1 PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-24 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-20100160666-A1 PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE GABRB1, GABRB3, GABRB2 ALDH1A1 1149/4885GAA 1413/4885TSHR 3859/4885

“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.