SCHEMBL5986721

SCHEMBL5986721

CC1=CC(=O)C(CC(=O)O)C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HCAR3 P49019 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL14360057 0.76 HSD11B1 (0.31) —
SCHEMBL14360052 0.75 PTPN1 (0.31) —
SCHEMBL5986950 0.74 MAPT (0.33) HTTMAPTKDM4ETSHRHCAR3
SCHEMBL5986763 0.63 PTPN1 (0.30) —
SCHEMBL11159746 0.62 KMT2A (0.42) MAPTTSHRCYP1A2
SCHEMBL29287876 0.62 HTR1A (0.32) —
SCHEMBL14359955 0.60 ALDH1A1 (0.33) —
SCHEMBL13995793 0.60 ITGB1 (0.38) HTTMAPTTSHR
SCHEMBL12189516 0.57 LMNA (0.47) KDM4ETSHR
SCHEMBL8345029 0.56 CYP1A2 (0.36) HTTKDM4ETSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111270-A1 Ketocampholenic acid derivatives and their use in fragrance applications AROMAGEN CORPORATION 2006-05-25 — — US claimed
EP-1534660-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOR APPLICATIONS Aromagen Corporation (US) 2005-06-01 — — EP claimed
WO-2004013079-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOUR APPLICATIONS AROMAGEN CORPORATION (US) 2004-02-12 — — WO claimed
US-7621992-B2 stabilizer for improve high optical density, clear color image, durability of printed images, waterproofing, lightfastness, gasfastness, environmental resistance, storage stability, and non-clogging of nozzles; thermal printing by a piezoelectric device SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-11-24 — — US disclosed
US-7621992-B2 stabilizer for improve high optical density, clear color image, durability of printed images, waterproofing, lightfastness, gasfastness, environmental resistance, storage stability, and non-clogging of nozzles; thermal printing by a piezoelectric device SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-11-24 — — US disclosed
US-20070274928-A1 Novel Cyclic Oxygenated Compounds Having Cooling, Fragrance, and Flavor Properties, and Uses Thereof AROMAGEN CORPORATION 2007-11-29 — — US disclosed
US-20070274928-A1 Novel Cyclic Oxygenated Compounds Having Cooling, Fragrance, and Flavor Properties, and Uses Thereof AROMAGEN CORPORATION 2007-11-29 — — US disclosed
US-20060111270-A1 Ketocampholenic acid derivatives and their use in fragrance applications AROMAGEN CORPORATION 2006-05-25 — — US disclosed
US-20060111270-A1 Ketocampholenic acid derivatives and their use in fragrance applications AROMAGEN CORPORATION 2006-05-25 — — US disclosed
EP-1534660-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOR APPLICATIONS Aromagen Corporation (US) 2005-06-01 — — EP disclosed
EP-1534660-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOR APPLICATIONS Aromagen Corporation (US) 2005-06-01 — — EP disclosed
WO-2004013079-A8 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOUR APPLICATIONS AROMAGEN CORP (US) 2004-04-29 — — WO disclosed
WO-2004013079-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOUR APPLICATIONS AROMAGEN CORPORATION (US) 2004-02-12 — — WO disclosed
WO-2004013079-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOUR APPLICATIONS AROMAGEN CORPORATION (US) 2004-02-12 — — WO 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-20070274928-A1 Novel Cyclic Oxygenated Compounds Having Cooling, Fragrance, and Flavor Properties, and Uses Thereof TAS2R5, KHK, TAS2R1 HTT 960/4885MAPT 3375/4885KDM4E 589/4885

“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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