SCHEMBL19733797

SCHEMBL19733797

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nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
TSHR P16473 5/20 0.33
RAB9A P51151 4/20 0.33
CYP3A4 P08684 4/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.32
NR1H4 Q96RI1 1/20 0.31
SCN4A P35499 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
CYP19A1 P11511 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL26572007 0.85 EPHX1 (0.36) TSHRRAB9ACYP3A4LMNANFKB1
SCHEMBL20848107 0.82 CNR2 (0.33) POLBTSHRRAB9ANPC1
SCHEMBL17814864 0.82 RAB9A (0.35) TSHRRAB9ALMNANFKB1NPC1
SCHEMBL19049882 0.82 RAB9A (0.35) TSHRRAB9ALMNANFKB1NPC1
SCHEMBL21126501 0.82 RAB9A (0.35) TSHRRAB9ALMNANFKB1NPC1
SCHEMBL20352484 0.82 RAB9A (0.35) TSHRRAB9ALMNANFKB1NPC1
SCHEMBL26801217 0.82 RAB9A (0.35) TSHRRAB9ALMNANFKB1NPC1
SCHEMBL23962141 0.82 RAB9A (0.33) RAB9ANPC1CYP19A1
SCHEMBL23453068 0.81 TSHR (0.33) TSHRRAB9ACYP3A4LMNANFKB1
SCHEMBL25002316 0.81 TSHR (0.33) TSHRRAB9ACYP3A4LMNANFKB1

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-11634448-B2 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION (US) 2023-04-25 US disclosed
US-20170362266-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION 2017-12-21 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 (2 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-11634448-B2 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions GALNT14, NEU4, CSGALNACT1 POLB 4356/4885TSHR 3743/4885RAB9A 4435/4885
US-20170362266-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions GALNT14, NEU4, CSGALNACT1 POLB 4356/4885TSHR 3743/4885RAB9A 4435/4885

“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.