SCHEMBL4089661

SCHEMBL4089661

CNc1cc(C)c(C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NUDT1 P36639 2/20 0.37
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31
G6PD P11413 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAPGEF4 Q8WZA2 2/20 0.31
HTR6 P50406 1/20 0.30
POLB P06746 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
SCHEMBL24594972 0.84 RAPGEF4 (0.36) NUDT1RAPGEF4
SCHEMBL16104709 0.79 TSHR (0.33) TSHRNUDT1
SCHEMBL879760 0.79 TSHR (0.33) TSHRNUDT1ALDH1A1MAPTRAPGEF4
SCHEMBL26940683 0.79 CA1 (0.52) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL28169413 0.79 ALDH1A1 (0.52) TSHRNUDT1ALDH1A1GAAHTR6
SCHEMBL26739507 0.79 SOS1 (0.41) TSHRNUDT1RAPGEF4
SCHEMBL1783525 0.78 TSHR (0.47) TSHRALDH1A1MAPTHTR6
SCHEMBL1155340 0.76 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL9876231 0.75 TSHR (0.35) TSHRNUDT1HTR6
SCHEMBL19473246 0.75 POLB (0.31) TSHRPOLB

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
WO-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 EP disclosed
US-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
CN-103732632-B Method for producing olefin block polymer using Group 4 transition metal complex 住友化学株式会社 2017-07-07 CN disclosed
CN-103958548-B Use the manufacture method of the olefin block polymers of multiple transition-metal catalyst SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-05-18 CN disclosed
CN-103958548-A Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL CO 2014-07-30 CN disclosed
CN-101878236-B Ethylene-alpha-olefin copolymer and molded body SUMITOMO CHEMICAL CO 2014-05-07 CN disclosed
CN-103732632-A Method for producing olefin block polymer using group 4 transition metal complex SUMITOMO CHEMICAL CO 2014-04-16 CN disclosed
CN-102336785-A Transition metal compound and catalyst for olefin polymerization SUMITOMO CHEMICAL CO 2012-02-01 CN disclosed
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 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 (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-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, JAK2, ERBB4 TSHR 994/4885NUDT1 1666/4885MEN1 3301/4885

“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.