SCHEMBL3397663

SCHEMBL3397663

CNC(C(=O)O)C1CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 0.43
XBP1 P17861 1/20 0.42
TSHR P16473 1/20 0.42
ECE1 P42892 3/20 0.41

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
SCHEMBL26619620 0.80 ALDH1A1 (0.43) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL29535205 0.80 ALDH1A1 (0.43) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL26619622 0.80 ALDH1A1 (0.43) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL6476247 0.79 HTT (0.49) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL2993631 0.78 HTT (0.46) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL5285710 0.78 HTT (0.48) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL30644032 0.78 HTT (0.48) HTTALDH1A1RAB9AMEN1KMT2A
Hydrogen Peroxide SCHEMBL9456544 0.77 IDO1 (0.46) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL14453237 0.77 HTT (0.40) HTTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8802816 0.74 TSHR (0.50) HTTALDH1A1MEN1KMT2AXBP1

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A HTT 344/4885ALDH1A1 2240/4885RAB9A 4036/4885

“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.