SCHEMBL3952609

SCHEMBL3952609

C#CC(O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47
TUBB4B P68371 3/20 0.47
TUBB3 Q13509 3/20 0.47
TUBB2A Q13885 3/20 0.47
TUBB8 Q3ZCM7 3/20 0.47
TUBA3E Q6PEY2 3/20 0.47
TUBA1A Q71U36 3/20 0.47
TUBA1C Q9BQE3 3/20 0.47
TUBB6 Q9BUF5 3/20 0.47
TUBB2B Q9BVA1 3/20 0.47
TUBB1 Q9H4B7 3/20 0.47
DHFR P00374 2/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ACHE P22303 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
SCHEMBL27819448 0.81 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27819446 0.81 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6968952 0.79 PPARG (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10429073 0.79 DHFR (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4044841 0.78 ACHE (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4036492 0.78 ACHE (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3953279 0.78 ACHE (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18287920 0.77 MAPT (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4048641 0.77 DHFR (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6957418 0.77 TSHR (0.58) CYP3A4L3MBTL1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447436-A Spiropyran derivative, color-changing glass paint and preparation method and application thereof 广州市科涵实业有限责任公司 2024-01-26 CN disclosed
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
WO-2017023912-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-09 WO disclosed
EP-2776404-B1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE UNIV CONNECTICUT (US) 2016-07-06 EP disclosed
US-8853228-B2 Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase UNIVERSITY OF CONNECTICUT (US) 2014-10-07 US disclosed
US-8426432-B2 Inhibitors of dihydrofolate reductase with antibacterial antiprotozoal, antifungal and anticancer properties UNIVERSITY OF CONNECTICUT (US) 2013-04-23 US disclosed
US-20120196859-A1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE UNIVERSITY OF CONNECTICUT 2012-08-02 US disclosed
US-20090105287-A1 Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties UNIVERSITY OF CONNECTICUT (US) 2009-04-23 US disclosed
WO-2009025919-A2 5-PROPARGYL-PYRIMIDINE DERIVATIVES AS INHIBITORS OF DIHYDROFOLATE REDUCTASE WITH ANTIBACTERIAL ANTIPROTOZOAL, ANTIFUNGAL AND ANTICANCER PROPERTIES UNIVERSITY OF CONNECTICUT (US) 2009-02-26 WO disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
US-20060148801-A1 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-06 US disclosed
US-4929741-A ANTISECRETORY AGENTS, GASTRIC JUICE, ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-05-29 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 (5 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-20090105287-A1 Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties DHFR, DPYD, DHODH TUBB4A 1385/4885TUBB 242/4885TUBA3C 858/4885
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA TUBB4A 632/4885TUBB 1055/4885TUBA3C 634/4885
US-20060148801-A1 Anti-tumor compounds TUBB1, TUBB3, TUBB TUBB4A 5/4885TUBB 3/4885TUBA3C 18/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA TUBB4A 632/4885TUBB 1055/4885TUBA3C 634/4885
US-20120196859-A1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE DHFR, DPYD, DHODH TUBB4A 2059/4885TUBB 487/4885TUBA3C 1054/4885

“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.