SCHEMBL1733618

SCHEMBL1733618

COCOc1ccc(C(=O)CCc2ccc(OC)nc2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SLC5A1 P13866 3/20 0.45
▸ SLC5A2 P31639 3/20 0.45
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DAO P14920 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ F2RL1 P55085 1/20 0.39

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
SCHEMBL1734687 0.92 NPC1 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1734591 0.88 NPC1 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4948839 0.87 MEN1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1734187 0.80 CYP19A1 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3258281 0.76 NPC1 (0.70) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL3258276 0.76 NPC1 (0.70) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL1734188 0.76 DAO (0.36) DAO
SCHEMBL30254972 0.75 KMT2A (0.69) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2875989 0.75 KMT2A (0.69) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL25416668 0.75 SLC5A1 (0.59) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 — — US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 — — US disclosed
EP-2259689-B1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2011-11-16 — — EP disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 — — US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 — — 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-20100272656-A1 Flavor Molecules TAS2R30, TAS2R31, TAS2R1 NPC1 3284/4885RAB9A 1700/4885KMT2A 1632/4885
US-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 NPC1 3284/4885RAB9A 1700/4885KMT2A 1632/4885

“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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