SCHEMBL1817008

SCHEMBL1817008

COc1cc(OC)cc(C(=O)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TUBB1 Q9H4B7 2/20 0.52
GAA P10253 2/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
CES2 O00748 1/20 0.50

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
SCHEMBL11914196 0.89 ALDH1A1 (0.46) ALDH1A1TUBB1GAAABCG2KDM4E
SCHEMBL3545138 0.89 TUBB4A (0.68) ALDH1A1TUBB1GAATUBB4ATUBB
SCHEMBL18529809 0.87 KMT2A (0.53) ALDH1A1TUBB1GAAABCG2KDM4E
SCHEMBL2464374 0.87 HTT (0.59) ALDH1A1GAACES2CES1MEN1
SCHEMBL25508540 0.86 CES2 (0.64) ALDH1A1GAAABCG2KDM4ECES2
SCHEMBL4818395 0.85 TUBB4A (0.74) ALDH1A1TUBB1GAATUBB4ATUBB
SCHEMBL4820908 0.85 CES2 (0.69) ABCG2CES2CES1MEN1KMT2A
SCHEMBL10013267 0.83 ATM (0.59) ALDH1A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL4824025 0.82 CYP1A2 (0.79) ALDH1A1TUBB1GAATUBB4ATUBB
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.82 RXRA (0.64) ALDH1A1GAAABCG2KDM4ERXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110381941-A SUMO-associated modified small molecule antagonists of CRMP2 and uses thereof 代表亚利桑那大学的亚利桑那校董会 2019-10-25 CN claimed
CN-110381941-A SUMO-associated modified small molecule antagonists of CRMP2 and uses thereof 代表亚利桑那大学的亚利桑那校董会 2019-10-25 CN disclosed
CN-108752236-A SHIP1 conditioning agents and relative method 阿奎诺克斯药物(加拿大)公司 2018-11-06 CN disclosed
CN-105026375-B SHIP1 modulators and methods related thereto 阿奎诺克斯药物(加拿大)公司 2018-06-05 CN disclosed
CN-105026375-A SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC 2015-11-04 CN disclosed
CN-102781583-B Metathesis catalyst and process for use thereof EXXONMOBIL CHEM PATENTS INC 2015-07-22 CN disclosed
CN-104610230-A Compounds for the treatment of cancer UNIV TENNESSEE RES FOUNDATION 2015-05-13 CN disclosed
EP-2866936-A1 METATHESIS CATALYST AND PROCESS FOR USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2015-05-06 EP disclosed
CN-104394987-A Metathesis catalyst and process for use thereof EXXONMOBIL CHEM PATENTS INC 2015-03-04 CN disclosed
CN-102137592-B Compounds for the treatment of cancer UNIV TENNESSEE RES FOUNDATION (US) 2015-01-28 CN disclosed
CN-101056846-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
EP-1603864-A4 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORP (US) 2007-04-11 EP disclosed
CN-1780811-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2006-05-31 CN disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 EP disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 US disclosed
US-20050014727-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-01-20 US disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO disclosed
US-4042587-A PESTICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-08-16 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 (2 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES ALDH1A1 124/4885TUBB1 3121/4885GAA 1186/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES ALDH1A1 124/4885TUBB1 3121/4885GAA 1186/4885

“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.