SCHEMBL10137685

SCHEMBL10137685

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.73
MAPT P10636 4/20 0.70
ALDH1A1 P00352 4/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 4/20 0.61
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.60
F2R P25116 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54

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
SCHEMBL20442339 0.83 RAB9A (0.78) RAB9AMAPTALDH1A1HPGDKMT2A
SCHEMBL27471805 0.82 RAB9A (0.76) RAB9AMAPTALDH1A1HPGDKMT2A
SCHEMBL12993342 0.81 RAB9A (0.60) RAB9AMAPTALDH1A1HPGDKMT2A
SCHEMBL10137686 0.81 RAB9A (0.74) RAB9AMAPTALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL27455337 0.81 RAB9A (0.74) RAB9AMAPTALDH1A1HPGDKMT2A
SCHEMBL11221078 0.80 SMN1; SMN2 (0.64) RAB9AMAPTALDH1A1HPGDKMT2A
SCHEMBL7134779 0.79 MAPT (0.65) RAB9AMAPTALDH1A1HPGDKMT2A
SCHEMBL7425443 0.79 RAB9A (0.71) RAB9AMAPTALDH1A1HPGDKMT2A
SCHEMBL8683973 0.79 RAB9A (0.75) RAB9AMAPTALDH1A1HPGDKMT2A
SCHEMBL7102593 0.79 MAPT (0.83) RAB9AMAPTALDH1A1HPGDKMT2A

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 3084/4885MAPT 1177/4885ALDH1A1 3160/4885

“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.