SCHEMBL10137530

SCHEMBL10137530

NC1CCCCC1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
FKBP1A P62942 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
CPB1 P15086 1/20 0.45
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL20411427 0.98 TSHR (0.48) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL19981404 0.98 TSHR (0.48) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL20411461 0.98 TSHR (0.48) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL30268981 0.97 TSHR (0.52) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL30288643 0.95 TSHR (0.54) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
Trifluoroacetic Acid SCHEMBL31031953 0.89 TSHR (0.46) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL17766262 0.89 TSHR (0.55) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL16347238 0.89 TSHR (0.55) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL16121069 0.84 RAB9A (0.54) TSHRFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL7897961 0.84 RAB9A (0.54) TSHRFKBP1ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-20110039208-A1 PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039208-A1 PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ TSHR 3521/4885FKBP1A 451/4885SMN1; SMN2 4171/4885

“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.