SCHEMBL3168552

SCHEMBL3168552

Cc1cc(C)c2ccccc2c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.48
CYP1A2 P05177 6/20 0.46
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
ERN1 O75460 2/20 0.42
CYP2C19 P33261 2/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2A6 P11509 2/20 0.40
KDM4E B2RXH2 1/20 0.38
NQO2 P16083 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10384781 0.85 ALDH1A1 (0.48) PADI4CYP1A2ALDH1A1TSHRERN1
SCHEMBL3268264 0.84 HTT (0.57) PADI4ERN1MAPTKDM4ELMNA
SCHEMBL3268788 0.84 PADI4 (0.42) PADI4CYP1A2ALDH1A1TSHRERN1
SCHEMBL3269246 0.84 ALDH1A1 (0.43) PADI4CYP1A2ALDH1A1TSHRERN1
SCHEMBL3267563 0.84 PADI4 (0.42) PADI4CYP1A2ALDH1A1TSHRERN1
SCHEMBL9839130 0.82 MAPT (0.44) PADI4CYP1A2ALDH1A1TSHRERN1
SCHEMBL12521593 0.82 PADI4 (0.41) PADI4CYP1A2ALDH1A1TSHRERN1
SCHEMBL11302952 0.82 PADI4 (0.48) PADI4CYP1A2ALDH1A1TSHRERN1
SCHEMBL15922323 0.81 PADI4 (0.53) PADI4CYP1A2ALDH1A1ERN1MAPT
SCHEMBL9838932 0.81 PADI4 (0.44) PADI4CYP1A2ALDH1A1TSHRERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
EP-4194449-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-06-14 EP disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
US-8911837-B2 Retardation film, optical laminated body, liquid crystal panel, and liquid crystal display NITTO DENKO CORPORATION (JP) 2014-12-16 US disclosed
CN-101512402-B Phase difference film, optical laminate, liquid crystal panel, and liquid crystal display device NITTO DENKO CORP 2012-04-04 CN disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-7643118-B2 Liquid crystal panel and liquid crystal display device NITTO DENKO CORPORATION (JP) 2010-01-05 US disclosed
CN-101512402-A Phase difference film, optical laminate, liquid crystal panel, and liquid crystal display device NITTO DENKO CORP (JP) 2009-08-19 CN disclosed
US-20090167999-A1 RETARDATION FILM, OPTICAL LAMINATED BODY, LIQUID CRYSTAL PANEL, AND LIQUID CRYSTAL DISPLAY NITTO DENKO CORPORATION (JP) 2009-07-02 US disclosed
US-20090109385-A1 LIQUID CRYSTAL PANEL AND LIQUID CRYSTAL DISPLAY DEVICE NITTO DENKO CORPORATION (JP) 2009-04-30 US disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101326461-A Liquid crystal panel and liquid crystal display device NITTO DENKO CORP (JP) 2008-12-17 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP disclosed
EP-0124992-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-29 EP disclosed
US-4680400-A Herbicidal cyclohexane-1,3-dione-5-isoquinoline derivatives ICI AUSTRALIA LIMITED (AU) 1987-07-14 US disclosed
US-4640708-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-03 US disclosed
EP-0124992-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP 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 (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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 PADI4 2514/4885CYP1A2 286/4885ALDH1A1 3003/4885
US-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 PADI4 3251/4885CYP1A2 972/4885ALDH1A1 381/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 PADI4 3743/4885CYP1A2 292/4885ALDH1A1 2016/4885

“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.