SCHEMBL10137686

SCHEMBL10137686

CC(C)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.74
ALDH1A1 P00352 4/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 4/20 0.55
HTT P42858 2/20 0.55
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MGLL Q99685 1/20 0.50

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
SCHEMBL17540324 0.87 ALDH1A1 (0.56) RAB9AALDH1A1MAPK1KMT2AMAPT
SCHEMBL1312917 0.84 RAB9A (0.74) RAB9AALDH1A1MAPK1KMT2ASLC6A2
SCHEMBL8130237 0.84 RAB9A (0.70) RAB9AALDH1A1MAPK1KMT2ASLC6A2
SCHEMBL14254837 0.84 ALDH1A1 (0.67) RAB9AALDH1A1MAPK1KMT2AMAPT
SCHEMBL20442339 0.84 RAB9A (0.78) RAB9AALDH1A1KMT2ASLC6A2SLC6A3
SCHEMBL27471805 0.83 RAB9A (0.76) RAB9AALDH1A1MAPK1KMT2ASLC6A2
SCHEMBL12993060 0.82 RAB9A (0.60) RAB9AALDH1A1MAPK1KMT2ASLC6A2
SCHEMBL8135411 0.82 RAB9A (0.63) RAB9AALDH1A1MAPK1KMT2ASLC6A2
SCHEMBL7434975 0.82 RAB9A (0.63) RAB9AALDH1A1MAPK1KMT2ASLC6A2
SCHEMBL5011050 0.82 RAB9A (0.67) RAB9AALDH1A1MAPK1KMT2ASLC6A2

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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 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 RAB9A 3084/4885ALDH1A1 3160/4885MAPK1 4503/4885

“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.