SCHEMBL17879069

SCHEMBL17879069

Cc1nc2cccc(O[C@H]3CC[C@H](NC(=O)COCCC(C)C)CC3)c2c(N)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.40
▸ LDHA P00338 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TNKS O95271 4/20 0.34
▸ PARP2 Q9UGN5 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL17740900 0.93 SMYD3 (0.42) SMYD3LDHAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL20016062 0.92 SMYD3 (0.39) SMYD3LDHAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL17878890 0.91 SMYD3 (0.40) SMYD3LDHASMN1; SMN2L3MBTL1TNKS
SCHEMBL17878864 0.91 LDHA (0.43) SMYD3LDHAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL17878876 0.91 SMYD3 (0.42) SMYD3LDHAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL17740891 0.91 SMYD3 (0.42) SMYD3LDHAKDM4EHSD17B10SMN1; SMN2
SCHEMBL17878892 0.90 SMYD3 (0.41) SMYD3LDHAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL17878882 0.90 SMYD3 (0.43) SMYD3LDHASMN1; SMN2L3MBTL1RAB9A
SCHEMBL17730317 0.90 SMYD3 (0.44) SMYD3LDHAKDM4EHSD17B10SMN1; SMN2
SCHEMBL17740925 0.89 SMYD3 (0.45) SMYD3LDHATNKSPARP2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 — — US disclosed
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers FIRMENICH INCORPORATED (US) 2022-05-24 — — US disclosed
US-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 — — US disclosed
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS FIRMENICH INCORPORATED 2016-06-30 — — 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 (3 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-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers TAS2R5, TAS2R4, TAS2R30 SMYD3 1526/4885LDHA 2337/4885KDM4E 1051/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 SMYD3 297/4885LDHA 1679/4885KDM4E 2019/4885
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS TAS2R5, TAS2R4, TAS2R30 SMYD3 1526/4885LDHA 2337/4885KDM4E 1051/4885

“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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