SCHEMBL18349644

SCHEMBL18349644

CC[C@H]1OC(=O)C(C)[C@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.43
▸ PDPK1 O15530 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BCHE P06276 2/20 0.39
▸ PLA2G6 O60733 2/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ CTRB1 P17538 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ TACR2 P21452 1/20 0.37
▸ CCKBR P32239 1/20 0.37
▸ FASN P49327 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CTSV O60911 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CTSC P53634 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
SCHEMBL14850064 0.92 NAAA (0.42) NAAAPDPK1MTORMAPTCYP2C19
SCHEMBL18456611 0.85 NAAA (0.46) NAAAPDPK1MTORBCHEPLA2G6
SCHEMBL16805385 0.85 NAAA (0.43) NAAAPDPK1MTORMAPTCYP2C19
SCHEMBL18456612 0.85 NAAA (0.46) NAAAPDPK1MTORBCHEPLA2G6
SCHEMBL18080620 0.85 NAAA (0.43) NAAAPDPK1MTORMAPTCYP2C19
SCHEMBL18522464 0.85 NAAA (0.41) NAAAPDPK1MTORMAPTCYP2C19
SCHEMBL10177147 0.85 NAAA (0.41) NAAAPDPK1MTORMAPTCYP2C19
SCHEMBL147364 0.84 BCHE (0.45) NAAAPDPK1MTORBCHEPLA2G6
SCHEMBL12869511 0.82 NAAA (0.41) NAAAPDPK1MTORMAPTCYP2C19
SCHEMBL769853 0.82 NAAA (0.41) NAAAPDPK1MTORMAPTCYP2C19

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-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION BANK OF AMERICA, N.A. 2016-12-29 — — 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-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION IGF2R, IRS1, INSR NAAA 4023/4885PDPK1 4311/4885MTOR 4880/4885

“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.

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