SCHEMBL4135904

SCHEMBL4135904

C=CC[C@H](CO)[C@H](O)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TACR1 P25103 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.39
SLC1A1 P43005 1/20 0.38

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
SCHEMBL15498497 1.00 CA1 (0.46) CA1CA2CA7CA9KMT2A
SCHEMBL4768128 1.00 CA1 (0.46) CA1CA2CA7CA9KMT2A
SCHEMBL24215046 0.91 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL29347468 0.87 KMT2A (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL8193335 0.87 TDP1 (0.37) CA1CA2CA7CA9KMT2A
SCHEMBL31208336 0.84 CA1 (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL8560881 0.81 TDP1 (0.37) CA1KMT2ATDP1TSHR
SCHEMBL8566056 0.81 TDP1 (0.37) CA1KMT2ATDP1TSHR
SCHEMBL4129150 0.80 ALDH1A1 (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL4129154 0.80 ALDH1A1 (0.51) CA1CA2CA7CA9KMT2A

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CA1 1033/4885CA2 182/4885CA7 2096/4885

“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.