SCHEMBL23720452

SCHEMBL23720452

CC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TACR1 P25103 3/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
SLC1A1 P43005 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL20889066 0.92 KMT2A (0.42) TSHRCA1CA2CA7CA9
SCHEMBL15892777 0.88 MAPT (0.40) TSHRCA1CA2CA7CA9
SCHEMBL15892823 0.88 MAPT (0.40) TSHRCA1CA2CA7CA9
SCHEMBL9504654 0.86 CA1 (0.46) TSHRCA1CA2CA7CA9
SCHEMBL9504650 0.86 CA1 (0.46) TSHRCA1CA2CA7CA9
SCHEMBL18286505 0.84 MAPT (0.38) TSHRCA1CA2CA7CA9
SCHEMBL7136072 0.83 TSHR (0.40) TSHRCA1CA2CA7CA9
SCHEMBL15892780 0.82 MAPT (0.41) TSHRMAPTKMT2ASLC1A1CYP2C19
SCHEMBL15892817 0.82 RCE1 (0.43) TSHRTACR1MAPTKMT2AHTT
SCHEMBL18286508 0.81 MAPT (0.41) TSHRCA1CA2CA7CA9

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-20210238124-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 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-20210238124-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER AADAC, ACAT2, AANAT TSHR 3836/4885CA1 672/4885CA2 2540/4885

“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.