SCHEMBL18287165

SCHEMBL18287165

CC(C)CC(C)NC(=O)C(C)(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ MMP1 P03956 7/20 0.32
▸ MMP3 P08254 6/20 0.32
▸ MMP9 P14780 6/20 0.32
▸ MMP2 P08253 6/20 0.32
▸ MMP8 P22894 4/20 0.32
▸ MMP13 P45452 3/20 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
SCHEMBL23613012 0.83 MLYCD (0.42) MLYCDALDH1A1CTSLCTSBCTSS
SCHEMBL18287169 0.79 MLYCD (0.39) MLYCDALDH1A1CTSKMEN1LMNA
SCHEMBL18287166 0.78 ALDH1A1 (0.41) ALDH1A1CTSKMEN1LMNAKMT2A
SCHEMBL12204111 0.77 MLYCD (0.53) MLYCDALDH1A1CA1CA2CTSS
SCHEMBL25134681 0.77 MLYCD (0.53) MLYCDALDH1A1CA1CA2CTSS
SCHEMBL19021911 0.73 CA1 (0.58) CA1CA2CA7CTSLCTSB
SCHEMBL902049 0.73 CA1 (0.58) CA1CA2CA7CTSLCTSB
SCHEMBL20370208 0.73 MLYCD (0.36) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL18287160 0.72 MMP1 (0.42) CA1CA2CA7CTSSCTSK
SCHEMBL16351261 0.72 ALDH1A1 (0.50) MLYCDALDH1A1MEN1LMNAKMT2A

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 MLYCD 670/4885ALDH1A1 1970/4885CA1 3222/4885
US-10173966-B2 Physiological cooling compounds TAS2R8, TAS2R3, TAS2R1 MLYCD 670/4885ALDH1A1 1970/4885CA1 3222/4885
US-20160355463-A1 PHYSIOLOGICAL COOLING COMPOUNDS TAS2R8, TAS2R3, TAS2R1 MLYCD 670/4885ALDH1A1 1970/4885CA1 3222/4885
US-20180179147-A1 PHYSIOLOGICAL COOLING COMPOUNDS TAS2R8, TAS2R3, TAS2R1 MLYCD 670/4885ALDH1A1 1970/4885CA1 3222/4885

“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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