SCHEMBL4899025

SCHEMBL4899025

C=CC(=O)c1ccc(CC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.72
THRA P10827 6/20 0.68
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 4/20 0.57
ALDH5A1 P51649 1/20 0.57
ABAT P80404 1/20 0.57
AKT1 P31749 1/20 0.54
PLK1 P53350 1/20 0.52
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
Ethylbenzene SCHEMBL27614422 0.86 AKT1 (0.70) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL4904680 0.84 THRB (1.00) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL4256312 0.82 ALDH5A1 (0.80) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL10954360 0.81 THRB (1.00) THRBTHRAMEN1KMT2ATDP1
SCHEMBL13562474 0.81 THRB (0.63) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL1483694 0.81 ALDH1A1 (0.59) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL21176949 0.80 ALDH1A1 (0.53) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL14192435 0.80 THRB (0.90) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL12333995 0.79 THRB (0.53) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL23658997 0.79 ALDH1A1 (0.57) THRBTHRAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116693-B Method for preparing sofosbuvir by combining 3, 3-diaryl acrolein and Grignard reagent 江苏科本药业有限公司 2021-04-27 CN claimed
CN-111116693-A Method for preparing sofosbuvir by combining 3, 3-diaryl acrolein and Grignard reagent 江苏科本药业有限公司 2020-05-08 CN claimed
US-3997708-A ADDITION PHILLIPS PETROLEUM COMPANY (US) 1976-12-14 US claimed
CN-111116693-B Method for preparing sofosbuvir by combining 3, 3-diaryl acrolein and Grignard reagent 江苏科本药业有限公司 2021-04-27 CN disclosed
CN-111116693-A Method for preparing sofosbuvir by combining 3, 3-diaryl acrolein and Grignard reagent 江苏科本药业有限公司 2020-05-08 CN disclosed
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
WO-2014209241-A1 METHOD FOR CROSS-LINKING OF POLYMER FILMS ÚSTAV POLYMÉROV SAV (SK) 2014-12-31 WO disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
US-4061638-A Organocalciumpyridine-type polymerization initiators PHILLIPS PETROLEUM COMPANY (US) 1977-12-06 US disclosed
US-3997708-A ADDITION PHILLIPS PETROLEUM COMPANY (US) 1976-12-14 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-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS DCTPP1, ENPP1, PPA1 THRB 4105/4885THRA 4463/4885MEN1 2500/4885
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 THRB 3278/4885THRA 3028/4885MEN1 1889/4885

“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.