SCHEMBL15518178

SCHEMBL15518178

CC1(C)CCCCOB(c2ccc(CO)cc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.40
LPL P06858 8/20 0.40
F11 P03951 2/20 0.39
ESR2 Q92731 1/20 0.34
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL15518375 0.86 LPL (0.40) LIPGLPLF11ESR2
SCHEMBL21612866 0.77 CA9 (0.36) CA1CA2CA9
SCHEMBL23801191 0.77 HIF1A (0.41)
SCHEMBL14986010 0.76 CHKA (0.35) LIPGLPLF11PRSS1PRSS2
SCHEMBL1285032 0.76 LIPG (0.65) LIPGLPLF11ESR2F2
SCHEMBL21612867 0.75 CA1 (0.35) CA1CA2CA9
SCHEMBL21612887 0.75 P4HB (0.49) ESR2CA1CA2CA9
SCHEMBL30188573 0.73 P4HB (0.42)
SCHEMBL30188658 0.73 AAK1 (0.43)
SCHEMBL21612862 0.73

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-9139576-B2 Aminomethyl biaryl benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-20140066443-A1 AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2014-03-06 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-20140066443-A1 AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES GRM2, GRM3, GRIN2C LIPG 4225/4885LPL 3678/4885F11 4808/4885

“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.