SCHEMBL4917255

SCHEMBL4917255

CCCCCCCCC(C)CC1CC(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PRKCD Q05655 5/20 0.39
ACE2 Q9BYF1 1/20 0.39
HLCS P50747 2/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKD1 Q15139 1/20 0.35
PTPN1 P18031 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34

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
SCHEMBL4010150 0.92 ALDH1A1 (0.40) ALDH1A1L3MBTL1PRKCDPRKCAITGB3
SCHEMBL4007879 0.84 ITGB1 (0.37) ALDH1A1L3MBTL1PRKCDITGB3ITGB2
SCHEMBL4015001 0.77 ITGB1 (0.39) ALDH1A1L3MBTL1ITGB3ITGB2ITGB1
Hydrochloric Acid SCHEMBL7283914 0.73 ALDH1A1 (0.70) ALDH1A1L3MBTL1PRKCDHLCSITGB3
SCHEMBL21859514 0.70 PRCP (0.41) ALDH1A1PRKCDACE2PRKD3PRKCG
SCHEMBL24494609 0.70 ALDH1A1 (0.54) ALDH1A1ACE2PTPN1PDCD4DAGLA
SCHEMBL24962634 0.70 CCR2 (0.45) PRKCDACE2CCR2
SCHEMBL22435315 0.70 ALDH1A1 (0.54) ALDH1A1ACE2PTPN1PDCD4DAGLA
SCHEMBL4559467 0.66
SCHEMBL5768296 0.66

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-20080063704-A1 Stable gabapentin compositions NORTON HEALTHCARE LTD. (GB) 2008-03-13 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-20080063704-A1 Stable gabapentin compositions GABRE, GABRA5, GABRB1 ALDH1A1 1973/4885L3MBTL1 4114/4885PRKCD 508/4885

“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.