SCHEMBL82057

SCHEMBL82057

CC(Oc1ccccc1)C(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL586056 0.85 CHRM2 (0.40) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL29444643 0.84 PPARA (0.54) GAACYP1A2CYP2C9CYP2C19ATM
SCHEMBL5822084 0.79 ATM (0.45) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL10688389 0.79 ATM (0.41) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL11663263 0.78 LMNA (0.41) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL11022205 0.77 KDM4E (0.40) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL14463423 0.77 ATM (0.40) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL8718949 0.77 ATM (0.40) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL11911977 0.77 ATM (0.40) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL5941469 0.74 TSHR (0.52) CYP1A2CYP2C19L3MBTL1KMT2AMEN1

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119493-A1 PROBIOTICS FOR CAT LITTER SYMRISE AG (DE) 2025-06-12 WO claimed
EP-3490389-B1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RES INC (US) 2024-09-25 EP claimed
US-11925733-B2 Malodor counteractant composition and methods BELL FLAVORS & FRAGRANCES, INC. (US) 2024-03-12 US claimed
EP-3541355-B1 MALODOR COUNTERACTANT COMPOSITION AND METHODS BELL FLAVORS AND FRAGRANCES INC (US) 2023-06-07 EP claimed
US-20210353814-A1 MALODOR COUNTERACTANT COMPOSITION AND METHODS BELL FLAVORS & FRAGRANCES, INC. (US) 2021-11-18 US claimed
US-10863758-B2 Fragrance and flavor compositions containing isomeric alkadienyl esters BEDOUKIAN RESEARCH, INC. (US) 2020-12-15 US claimed
EP-3183231-B1 PERFUME COMPOSITIONS CONTAINING ISOMERIC ALKADIENENITRILES BEDOUKIAN RES INC (US) 2019-10-09 EP claimed
EP-3541355-A1 MALODOR COUNTERACTANT COMPOSITION AND METHODS Bell Flavors And Fragrances, Inc. (US) 2019-09-25 EP claimed
EP-3183330-B1 PERFUME COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS BEDOUKIAN RES INC (US) 2019-07-17 EP claimed
EP-3490389-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS Bedoukian Research, Inc. (US) 2019-06-05 EP claimed
US-20160052872-A1 PERFUME COMPOSITIONS CONTAINING ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. 2016-02-25 US claimed
US-20160052855-A1 PERFUME COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS BEDOUKIAN RESEARCH, INC. 2016-02-25 US claimed
WO-2016028892-A1 PERFUME COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS BEDOUKIAN RESEARCH, INC. (US) 2016-02-25 WO claimed
WO-2016028897-A1 PERFUME COMPOSITONS CONTAINING ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2016-02-25 WO claimed
EP-2084254-B1 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2015-02-25 EP claimed
EP-2084255-B1 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2014-01-22 EP claimed
EP-2416766-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT Symrise AG (DE) 2012-02-15 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
WO-2009087242-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT SYMRISE GMBH & CO. KG (DE) 2009-07-16 WO claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed

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-20160052855-A1 PERFUME COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS PRDX6, PRDX4, PLK3 MTNR1A 869/4885MTNR1B 996/4885GAA 3191/4885
US-20160052872-A1 PERFUME COMPOSITIONS CONTAINING ISOMERIC ALKADIENENITRILES OR10J3, ACSL4, CASP4 MTNR1A 4810/4885MTNR1B 4628/4885GAA 3416/4885
US-10863758-B2 Fragrance and flavor compositions containing isomeric alkadienyl esters FADS2, FADS1, DHCR24 MTNR1A 2552/4885MTNR1B 2383/4885GAA 2524/4885

“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.