SCHEMBL17878878

SCHEMBL17878878

Cc1nc2cccc(O[C@H]3CC[C@H](NC(=O)COCCOCc4ccccc4)CC3)c2c(N)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.42
▸ LDHA P00338 1/20 0.41
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TNKS O95271 3/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ PARP2 Q9UGN5 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GID4 Q8IVV7 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CSNK1D P48730 1/20 0.33

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
SCHEMBL17878864 0.92 LDHA (0.43) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17878882 0.91 SMYD3 (0.43) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17740891 0.90 SMYD3 (0.42) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17878876 0.90 SMYD3 (0.42) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17878892 0.90 SMYD3 (0.41) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17730317 0.89 SMYD3 (0.44) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17878890 0.89 SMYD3 (0.40) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17879069 0.88 SMYD3 (0.40) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17740922 0.88 SMYD3 (0.42) SMYD3LDHATSHRSMN1; SMN2TNKS
SCHEMBL17740900 0.87 SMYD3 (0.42) SMYD3LDHATSHRSMN1; SMN2TNKS

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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