SCHEMBL18287166

SCHEMBL18287166

CCCC(C)NC(=O)C(C)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ CTSK P43235 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL18287167 0.87 MLYCD (0.46) KMT2ACTSKTAS1R3TAS1R1MEN1
SCHEMBL23613007 0.83 ALDH1A1 (0.43) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL18287169 0.81 MLYCD (0.39) ALDH1A1KMT2ALMNACTSKTAS1R3
SCHEMBL15895098 0.80 RIPK1 (0.42) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL23175981 0.80 RIPK1 (0.42) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL23175980 0.78 ALDH1A1 (0.40) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL18287165 0.78 MLYCD (0.40) ALDH1A1KMT2ALMNACTSKMEN1
SCHEMBL7230655 0.78 ALDH1A1 (0.46) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL22403767 0.77 ALDH1A1 (0.39) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL18287160 0.75 MMP1 (0.42) POLBLMNASMN1; SMN2CTSKPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981862-B2 Physiological cooling compounds SYMRISE, INC. (US) 2021-04-20 — — US disclosed
US-10173966-B2 Physiological cooling compounds SYMRISE, INC. (US) 2019-01-08 — — US disclosed
US-20180179147-A1 PHYSIOLOGICAL COOLING COMPOUNDS SYMRISE, INC. 2018-06-28 — — US disclosed
US-20180179147-A1 PHYSIOLOGICAL COOLING COMPOUNDS SYMRISE, INC. 2018-06-28 — — US disclosed
US-20160355463-A1 PHYSIOLOGICAL COOLING COMPOUNDS SYMRISE, INC. 2016-12-08 — — US disclosed
US-20160355463-A1 PHYSIOLOGICAL COOLING COMPOUNDS SYMRISE, INC. 2016-12-08 — — 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 (4 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-10981862-B2 Physiological cooling compounds TAS2R8, TAS2R3, TAS2R1 ALDH1A1 1970/4885POLB 2636/4885HPGD 3247/4885
US-10173966-B2 Physiological cooling compounds TAS2R8, TAS2R3, TAS2R1 ALDH1A1 1970/4885POLB 2636/4885HPGD 3247/4885
US-20160355463-A1 PHYSIOLOGICAL COOLING COMPOUNDS TAS2R8, TAS2R3, TAS2R1 ALDH1A1 1970/4885POLB 2636/4885HPGD 3247/4885
US-20180179147-A1 PHYSIOLOGICAL COOLING COMPOUNDS TAS2R8, TAS2R3, TAS2R1 ALDH1A1 1970/4885POLB 2636/4885HPGD 3247/4885

“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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