SCHEMBL4286692

SCHEMBL4286692

C=C(C)C(=O)Oc1ccccc1C[C@H](N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.52
NOS1 P29475 3/20 0.52
NOS2 P35228 3/20 0.52
SLC7A5 Q01650 5/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MPO P05164 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
ELANE P08246 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL14599983 0.87 NOS3 (0.56) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL12667853 0.87 NOS3 (0.56) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL5841281 0.82 KDM4E (0.49) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL4596026 0.82 ELANE (0.43) TSHRELANE
SCHEMBL28268633 0.81 ELANE (0.42) TSHRELANEALDH1A1
SCHEMBL155234 0.80 NOS3 (0.55) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL29750308 0.80 NOS3 (0.55) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL155235 0.80 NOS3 (0.55) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL4595466 0.80 NOS3 (0.55) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL27638622 0.79 ELANE (0.45) PTGS1KDM4ETSHRBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030199-A1 ARTIFICIAL NAIL COMPOSITION SHOFU INC. (JP) 2014-01-30 US disclosed
US-20090258966-A1 Dental Composition NIHON UNIVERSITY (JP) 2009-10-15 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-20090258966-A1 Dental Composition DCPS, MMAB, CAD NOS3 4545/4885NOS1 4658/4885NOS2 4384/4885

“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.