SCHEMBL3427355

SCHEMBL3427355

CCC(C)c1ccc(C=O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 1/20 0.50
PTGS2 P35354 1/20 0.50
RAB9A P51151 1/20 0.50
AOX1 Q06278 1/20 0.46
RORC P51449 1/20 0.44
ALDH5A1 P51649 3/20 0.42
ABAT P80404 3/20 0.42
HPGD P15428 2/20 0.42
TRIM24 O15164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SRC P12931 1/20 0.39
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7245766 0.88 ALDH1A1 (0.56) TSHRALDH1A1KDM4EPTGS2RAB9A
SCHEMBL3432659 0.82 KDM4E (0.57) TSHRALDH1A1KDM4EPTGS2RAB9A
SCHEMBL29951527 0.82 KDM4E (0.57) TSHRALDH1A1KDM4EPTGS2RAB9A
SCHEMBL20963093 0.81 ALDH1A1 (0.40) TSHRALDH1A1KDM4EPTGS2RAB9A
SCHEMBL24666312 0.79 ALDH1A1 (0.39) TSHRALDH1A1RORCHPGDTYR
SCHEMBL29820181 0.79 ALDH1A1 (0.39) TSHRALDH1A1RORCHPGDTYR
SCHEMBL4078873 0.77 TSHR (0.42) TSHRALDH1A1KDM4ERORCHPGD
SCHEMBL29492442 0.76 TSHR (0.61) TSHRALDH1A1RORCHPGDUSP2
SCHEMBL1104213 0.76 TSHR (0.61) TSHRALDH1A1RORCHPGDUSP2
SCHEMBL6623164 0.75 TRIM24 (0.47) TSHRALDH1A1KDM4EPTGS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4587669-B2 2010-11-24 JP claimed
JP-2005509662-A 2005-04-14 JP claimed
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN claimed
EP-1443915-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES Cutanix Corporation (US) 2004-08-11 EP claimed
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 US claimed
WO-2003043621-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES CUTANIX CORPORATION (US) 2003-05-30 WO claimed
CN-102973417-A Pharmaceutical and cosmetic compositions containing oxy group-bearing aromatic aldehydes CUTANIX CORP 2013-03-20 CN disclosed
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN disclosed
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 TSHR 4382/4885ALDH1A1 7/4885KDM4E 2158/4885

“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.