SCHEMBL13780741

SCHEMBL13780741

CC1=C(C)C[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@H](C(=O)O)C1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.65
▸ CYP2C19 P33261 1/20 0.59
▸ LMNA P02545 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TSHR P16473 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 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
SCHEMBL7365408 0.77 LMNA (0.68) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL7365405 0.77 LMNA (0.68) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL5487379 0.77 LMNA (0.72) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL5487375 0.77 LMNA (0.72) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL11321330 0.74 LMNA (0.68) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL10144123 0.74 SMN1; SMN2 (0.69) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL5462606 0.74 LMNA (0.64) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL5462612 0.74 LMNA (0.64) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL1219410 0.74 CYP2C19 (0.67) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL1219408 0.74 CYP2C19 (0.67) ALDH1A1CYP2C19LMNAMEN1KMT2A

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-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 — — 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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 ALDH1A1 867/4885CYP2C19 2329/4885LMNA 1743/4885

“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.

Send feedback