SCHEMBL10196604

SCHEMBL10196604

COc1cc(C)cc(C)c1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.76
MAPT P10636 3/20 0.46
CYP3A4 P08684 1/20 0.46
CA9 Q16790 1/20 0.46
TUBB1 Q9H4B7 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL171116 0.87 ACHE (1.00) ACHEMAPTCYP3A4CA9TUBB1
SCHEMBL129762 0.84 ACHE (0.57) ACHEMAPTCYP3A4CA9TUBB1
Trimethylammonium SCHEMBL22264980 0.80 ACHE (0.85) ACHEMAPTCYP3A4CA9TUBB1
SCHEMBL17655758 0.80 ACHE (0.76) ACHEMAPTCYP3A4CA9TUBB1
SCHEMBL29157546 0.79 ACHE (0.48) ACHEMAPTCYP3A4KMT2AMEN1
SCHEMBL30739444 0.79 ACHE (0.48) ACHEMAPTCYP3A4KMT2AMEN1
SCHEMBL1944013 0.79 ACHE (0.54) ACHEMAPTCYP3A4CA9KMT2A
SCHEMBL13140426 0.79 ACHE (0.48) ACHEMAPTHTR2AHTR2CHTR2B
SCHEMBL684136 0.78 ACHE (0.52) ACHEMAPTCYP3A4CA9TUBB1
Boric Acid SCHEMBL4626813 0.78 ACHE (0.81) ACHEMAPTCYP3A4CA9TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021163629-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-08-19 WO disclosed
EP-3202765-A1 POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2017-08-09 EP disclosed
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS THE OHIO STATE UNIVERSITY 2016-12-08 US disclosed
US-20160274091-A1 A Fluorescent Chemical Sensor for Biological Amines THE CURATORS OF THE UNIVERSITY OF MISSOURI 2016-09-22 US disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
EP-1940814-B1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-22 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
WO-2012118935-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTEOTECH INC (US) 2012-09-07 WO disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011143033-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2011-11-17 WO disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100285407-A1 Composition for forming a silicon-containing antireflection film, substrate having the silicon-containing antireflection film from the composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-11 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (8 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ACHE 1308/4885MAPT 4606/4885CYP3A4 90/4885
US-20160274091-A1 A Fluorescent Chemical Sensor for Biological Amines ADRB3, SLC18A1, BRS3 ACHE 227/4885MAPT 1907/4885CYP3A4 811/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 ACHE 2639/4885MAPT 2629/4885CYP3A4 219/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ACHE 2639/4885MAPT 2629/4885CYP3A4 219/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ACHE 1308/4885MAPT 4606/4885CYP3A4 90/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 ACHE 2815/4885MAPT 3914/4885CYP3A4 527/4885
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS KRAS, NRAS, GMNN ACHE 3445/4885MAPT 3845/4885CYP3A4 3958/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 ACHE 3189/4885MAPT 2613/4885CYP3A4 158/4885

“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.