SCHEMBL17878884

SCHEMBL17878884

Cc1nc2cccc(O[C@H]3CC[C@H](NC(=O)COCC4CCCC4)CC3)c2c(N)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.41
▸ LDHA P00338 1/20 0.40
▸ TSHR P16473 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 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
SCHEMBL17878871 0.99 SMYD3 (0.41) SMYD3LDHATSHRSMN1; SMN2L3MBTL1
SCHEMBL17878877 0.98 SMYD3 (0.41) SMYD3LDHATSHRSMN1; SMN2L3MBTL1
SCHEMBL17740922 0.97 SMYD3 (0.42) SMYD3LDHATSHRSMN1; SMN2L3MBTL1
SCHEMBL17878872 0.93 DCPS (0.41) SMYD3LDHATSHRSMN1; SMN2L3MBTL1
SCHEMBL17730317 0.91 SMYD3 (0.44) SMYD3LDHATSHRSMN1; SMN2L3MBTL1
SCHEMBL17740897 0.90 SMYD3 (0.42) SMYD3LDHATSHRSMN1; SMN2L3MBTL1
SCHEMBL17740900 0.89 SMYD3 (0.42) SMYD3LDHATSHRSMN1; SMN2L3MBTL1
SCHEMBL17878864 0.89 LDHA (0.43) SMYD3LDHATSHRSMN1; SMN2L3MBTL1
SCHEMBL17740894 0.89 SMYD3 (0.42) SMYD3LDHATSHRL3MBTL1KMT2A
SCHEMBL17878876 0.89 SMYD3 (0.42) SMYD3LDHATSHRSMN1; SMN2L3MBTL1

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 2337/4885TSHR 4224/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 SMYD3 297/4885LDHA 1679/4885TSHR 2220/4885
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS TAS2R5, TAS2R4, TAS2R30 SMYD3 1526/4885LDHA 2337/4885TSHR 4224/4885

“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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