SCHEMBL18875626

SCHEMBL18875626

[2H]C(CCC)N1CCCC1C(=O)NCCC(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.59
▸ FKBP1A P62942 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TSHR P16473 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ OPRL1 P41146 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MMEL1 Q495T6 1/20 0.40
▸ BCHE P06276 1/20 0.40

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
SCHEMBL17335929 0.91 PRCP (0.61) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL17335931 0.91 PRCP (0.61) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL18875712 0.86 PRCP (0.51) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL17335904 0.84 PRCP (0.53) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL18863404 0.84 PRCP (0.53) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL18863403 0.84 PRCP (0.53) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL17335905 0.84 PRCP (0.53) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL18875526 0.83 PRCP (0.55) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL17335883 0.81 PRCP (0.54) PRCPFKBP1ASMN1; SMN2TSHRRAB9A
SCHEMBL17335881 0.81 PRCP (0.54) PRCPFKBP1ASMN1; SMN2TSHRRAB9A

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-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 — — 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL PRCP 821/4885FKBP1A 1121/4885SMN1; SMN2 2823/4885

“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.

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