SCHEMBL9847952

SCHEMBL9847952

COc1ccc(C)c(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.43
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA4 P22748 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
NFE2L2 Q16236 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3769995 0.83 TUBB1 (0.44) TUBB1ACHEMAPTCA12CA1
SCHEMBL8240850 0.81 TUBB1 (0.43) TUBB1ACHEMAPTKDM4EMEN1
SCHEMBL16526006 0.81 TUBB1 (0.43) TUBB1ACHEMAPTKDM4EMEN1
SCHEMBL13696468 0.79 TUBB1 (0.42) TUBB1ACHEMAPTKDM4EMEN1
SCHEMBL15682035 0.79 CA2 (0.47) TUBB1ACHEMAPTKDM4ECA12
SCHEMBL634310 0.77 ALDH1A1 (0.47) TUBB1ACHEMAPTKDM4EMEN1
SCHEMBL15649522 0.77 TUBB1 (0.41) TUBB1ACHEMAPTKDM4EMEN1
SCHEMBL12957891 0.77 HTR2A (0.41) TUBB1ACHEMAPTKDM4EMEN1
SCHEMBL16425171 0.77 NQO2 (0.41) TUBB1ACHEMAPTKDM4EMEN1
SCHEMBL19756690 0.77 TUBB1 (0.41) TUBB1ACHEMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384669-A A kind of pyrethroid compound and its synthetic method and application 江苏扬农化工股份有限公司 2019-02-26 CN claimed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20230167098-A1 HETEROCYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
CN-109384669-A A kind of pyrethroid compound and its synthetic method and application 江苏扬农化工股份有限公司 2019-02-26 CN disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
US-9393235-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-19 US disclosed
US-20150246028-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-09-03 US disclosed
US-9051270-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
US-20140213616-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-31 US disclosed
WO-2007038215-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2007-04-05 WO disclosed
EP-0451422-A1 Pharmaceutically active fluoromethyltyrosine compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 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 (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-20150246028-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 TUBB1 2962/4885ACHE 315/4885MAPT 2938/4885
US-20140213616-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 TUBB1 2962/4885ACHE 315/4885MAPT 2938/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS TUBB1 2920/4885ACHE 4868/4885MAPT 3495/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 TUBB1 1587/4885ACHE 23/4885MAPT 1246/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD TUBB1 1794/4885ACHE 4854/4885MAPT 3015/4885
US-20230167098-A1 HETEROCYCLIC COMPOUND CYP11B2, CYP4F11, CYP11B1 TUBB1 2444/4885ACHE 673/4885MAPT 3511/4885

“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.