SCHEMBL18875712

SCHEMBL18875712

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MMEL1 Q495T6 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PREP P48147 2/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ FKBP1A P62942 1/20 0.39
▸ OPRL1 P41146 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL18863404 0.91 PRCP (0.53) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL18863403 0.91 PRCP (0.53) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL18875626 0.86 PRCP (0.59) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL17335904 0.85 PRCP (0.53) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL18875526 0.85 PRCP (0.55) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL17335905 0.85 PRCP (0.53) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL17335881 0.85 PRCP (0.54) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL17335883 0.85 PRCP (0.54) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL17335931 0.84 PRCP (0.61) PRCPSMN1; SMN2TSHRCYP3A4MAPT
SCHEMBL17335929 0.84 PRCP (0.61) PRCPSMN1; SMN2TSHRCYP3A4MAPT

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 821/4885SMN1; SMN2 2823/4885TSHR 2571/4885

“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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