SCHEMBL17201807

SCHEMBL17201807

COc1ccc([C@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)N(CCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
CNR2 P34972 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL15675113 0.84 ALDH1A1 (0.38) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL17201826 0.81 GAA (0.41) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL15699255 0.81 ABCB1 (0.38) ALDH1A1CNR2ACHETDP1
SCHEMBL18500324 0.81 ABCB1 (0.38) ALDH1A1CNR2ACHETDP1
SCHEMBL15697199 0.72 ABCB1 (0.39) MEN1KMT2AALDH1A1TDP1
SCHEMBL17211437 0.72 ABCB1 (0.39) MEN1KMT2AALDH1A1TDP1
SCHEMBL17211435 0.72 ABCB1 (0.39) MEN1KMT2AALDH1A1TDP1
SCHEMBL23668704 0.69 F2RL1 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL15674962 0.68 CNR2 (0.41) MEN1KMT2AALDH1A1CNR2GAA
SCHEMBL17211436 0.68 ABCB1 (0.41) ALDH1A1

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-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 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-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS ALOX5 4310/4885MEN1 1766/4885KMT2A 4810/4885

“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.