SCHEMBL921229

SCHEMBL921229

ClCCOc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.32
ALDH3A1 P30838 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL921280 0.93 KCNA3 (0.44) KCNA3TAAR1ALDH1A1RECQLGAA
SCHEMBL919130 0.88 KCNA3 (0.46) KCNA3ALDH1A1GAAALDH3A1HDAC3
SCHEMBL7654202 0.87 KDM4E (0.37) KCNA3RECQL
SCHEMBL921941 0.86 KCNA3 (0.44) KCNA3GAAALDH3A1HDAC3HDAC4
SCHEMBL919856 0.86 KCNA3 (0.44) KCNA3GAAALDH3A1HDAC3HDAC4
SCHEMBL920692 0.86 KCNA3 (0.44) KCNA3GAAALDH3A1HDAC3HDAC4
SCHEMBL10785918 0.85 KCNA3 (0.43) KCNA3TAAR1ALDH1A1RECQLGAA
SCHEMBL5636691 0.82 KCNA3 (0.46) KCNA3TAAR1ALDH1A1RECQLDRD2
SCHEMBL1007150 0.80
Water SCHEMBL11880867 0.78 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHDAC3

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP claimed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO claimed
CN-107428690-B Mutant IDH1 inhibitors useful for the treatment of cancer 美国政府健康及人类服务部 2021-04-13 CN disclosed
CN-109593064-A Dithiocarbamates compound as BTK inhibitor 北京信辰医药科技有限公司 2019-04-09 CN disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
CN-105658628-A Novel arylalkene derivatives and use thereof as selective estrogen receptor modulators 北京赛林泰医药技术有限公司 2016-06-08 CN disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-103172551-A Precursor compound for PET (Polyethylene Terephthalate) ligand of H3 receptor, and synthesis method of precursor compound UNIV NANJING SCIENCE & TECH 2013-06-26 CN disclosed
CN-102883723-A Therapeutic compounds and related methods of use GALENEA CORP 2013-01-16 CN disclosed
CN-102584687-A Ethylene derivatives used as selective estrogen receptor modulators CENTAURUS BIOPHARMA 2012-07-18 CN disclosed
EP-0260066-A1 Tamoxifen derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-03-16 EP disclosed
CN-86107292-A Novel silane derivatives, process for their preparation, formulations containing them and their use as pesticides 1987-07-29 CN disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 EP disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed
EP-0206251-A1 Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-12-30 EP disclosed
EP-0189774-A1 Process for production of N,N-disubstituted carboxylic acid amides TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-06 EP disclosed
US-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX KCNA3 170/4885TAAR1 2458/4885ALDH1A1 1019/4885

“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.