SCHEMBL891328

SCHEMBL891328

CC(CC1CCCO1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
PKM P14618 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL52157 0.80 TAAR1 (0.53) HPGDALDH1A1TAAR1KDM4ETDP1
SCHEMBL29706732 0.79 HPGD (0.51) HPGDPKMCYP2C9CYP2C19CYP3A4
SCHEMBL9122187 0.77 HPGD (0.39) HPGDKDM4E
SCHEMBL23501585 0.76 TAAR1 (0.45) HPGDPKMCYP2C9CYP2C19CYP3A4
SCHEMBL31395177 0.76 HPGD (0.56) HPGDPKMCYP2C9CYP2C19CYP3A4
SCHEMBL28466570 0.76 KDM4E (0.47) HPGDPKMCYP2C9CYP2C19CYP3A4
SCHEMBL9449633 0.76 HPGD (0.46) HPGDPKMCYP2C9CYP2C19CYP3A4
SCHEMBL9123178 0.76 HPGD (0.39) HPGDPKMCYP2C9CYP2C19CYP3A4
Water SCHEMBL9949680 0.75 PKM (0.43) HPGDPKMCYP2C9CYP2C19GAA
Water SCHEMBL10179762 0.75 PKM (0.43) HPGDPKMCYP2C9CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103140209-B Oral care composition with improved local flavor 宝洁公司 2017-10-13 CN claimed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP claimed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO claimed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 US claimed
EP-2621462-B1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR PROCTER & GAMBLE (US) 2020-02-12 EP disclosed
US-9937115-B2 Oral care compositions with improved flavor THE PROCTER & GAMBLE COMPANY (US) 2018-04-10 US disclosed
CN-103140209-B Oral care composition with improved local flavor 宝洁公司 2017-10-13 CN disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 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-20120082628-A1 Oral Care Compositions With Improved Flavor TRPA1, TAS2R40, TAS2R30 HPGD 3178/4885PKM 3738/4885CYP2C9 2787/4885

“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.