SCHEMBL21531597

SCHEMBL21531597

C=CCC(CC)(CC)C(=O)NC[C@@H](OC(=O)CN)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HTT P42858 1/20 0.33
RIPK1 Q13546 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
MMP2 P08253 1/20 0.31
BCAT2 O15382 1/20 0.31
OPRD1 P41143 1/20 0.31
PKM P14618 1/20 0.30
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21531722 0.77 CRHBP (0.40) L3MBTL1MAPTCRHBPCRHR2HTT
Hydrochloric Acid SCHEMBL21523044 0.76 CRHBP (0.40) L3MBTL1MAPTCRHBPCRHR2ALDH1A1
Hydrochloric Acid SCHEMBL21523042 0.76 CRHBP (0.40) L3MBTL1MAPTCRHBPCRHR2ALDH1A1
Hydrochloric Acid SCHEMBL6666134 0.70 LMNA (0.40) ALDH1A1TSHRPKMLMNASMN1; SMN2
SCHEMBL10617730 0.67 CYP2C19 (0.41) CRHBPCRHR2CYP2C19TSHRBCAT2
SCHEMBL17497272 0.67 L3MBTL1 (0.41) L3MBTL1CRHBPCRHR2PPARGPPARA
SCHEMBL17497271 0.67 L3MBTL1 (0.41) L3MBTL1CRHBPCRHR2PPARGPPARA
SCHEMBL1133337 0.65 CRHBP (0.53) CRHBPCRHR2ALDH1A1CYP2C19TSHR
SCHEMBL17497198 0.65 L3MBTL1 (0.46) L3MBTL1PPARGPPARACYP2C19MMP2
Hydrochloric Acid SCHEMBL21523063 0.65 HPGD (0.50) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 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 (1 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-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP L3MBTL1 3063/4885MAPT 239/4885CRHBP 1707/4885

“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.