SCHEMBL3470164

SCHEMBL3470164

CC(=Cc1ccccc1)C[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
AKR1C3 P42330 1/20 0.54
RECQL P46063 1/20 0.50
FBP1 P09467 1/20 0.48
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
CYP3A4 P08684 1/20 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
SCHEMBL17969091 1.00 TSHR (0.54) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL26928883 0.80 CYP2A6 (0.44) ALDH1A1AKR1C3SMN1; SMN2KMT2AHTT
SCHEMBL5078610 0.79 TSHR (0.50) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL295401 0.79 TSHR (0.50) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL110774 0.79 TSHR (0.50) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL5027068 0.79 TSHR (0.50) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL295402 0.79 TSHR (0.50) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL598599 0.79 TSHR (0.50) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL2910666 0.78 RECQL (0.67) TSHRALDH1A1AKR1C3RECQLFBP1
SCHEMBL2910667 0.78 RECQL (0.67) TSHRALDH1A1AKR1C3RECQLFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-9981008-B2 Apolipoprotein A-I mimics CERENIS THERAPEUTICS HOLDING SA (FR) 2018-05-29 US disclosed
EP-2939683-B1 Apolipoprotein A-I Mimics CERENIS THERAPEUTICS HOLDING SA (FR) 2017-01-04 EP disclosed
US-20160324923-A1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS HOLDING SA (FR) 2016-11-10 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-9388232-B2 Apolipoprotein A-I mimics CERENIS THERAPEUTICS HOLDING SA (FR) 2016-07-12 US disclosed
EP-2939683-A1 Apolipoprotein A-I Mimics Cerenis Therapeutics Holding SA (FR) 2015-11-04 EP disclosed
EP-2396017-B1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS HOLDING SA (FR) 2015-07-01 EP disclosed
US-20150141330-A1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS HOLDING SA (FR) 2015-05-21 US disclosed
US-8993597-B2 Apolipoprotein A-I mimics CERENIS THERAPEUTICS HOLDING SA (FR) 2015-03-31 US disclosed
US-20130231459-A1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS HOLDING SA (FR) 2013-09-05 US disclosed
US-8378068-B2 Apolipoprotein A-I mimics CERENIS THERAPEUTICS HOLDING SA (FR) 2013-02-19 US disclosed
EP-2396017-A1 APOLIPOPROTEIN A-I MIMICS Cerenis Therapeutics SA (FR) 2011-12-21 EP disclosed
US-20100267631-A1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS HOLDING SA (FR) 2010-10-21 US disclosed
WO-2010093918-A1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS SA (FR) 2010-08-19 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 (6 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 TSHR 2067/4885ALDH1A1 1611/4885AKR1C3 888/4885
US-20100267631-A1 APOLIPOPROTEIN A-I MIMICS APOB, APOL1, LIPG TSHR 3416/4885ALDH1A1 3150/4885AKR1C3 3756/4885
US-20160324923-A1 APOLIPOPROTEIN A-I MIMICS APOB, APOL1, LIPG TSHR 3416/4885ALDH1A1 3150/4885AKR1C3 3756/4885
US-20150141330-A1 APOLIPOPROTEIN A-I MIMICS APOB, APOL1, LIPG TSHR 3416/4885ALDH1A1 3150/4885AKR1C3 3756/4885
US-20130231459-A1 APOLIPOPROTEIN A-I MIMICS APOB, APOL1, LIPG TSHR 3416/4885ALDH1A1 3150/4885AKR1C3 3756/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TSHR 2067/4885ALDH1A1 1611/4885AKR1C3 888/4885

“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.