SCHEMBL1707076

SCHEMBL1707076

CC(C)OC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 4/20 0.36
ADRA1A P35348 2/20 0.36
USP2 O75604 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB3 P13945 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36

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
Isopropylamine SCHEMBL28680220 0.93 MEN1 (0.40) TSHRMEN1KMT2ALMNAADRA1A
Trichloroacetic Acid SCHEMBL28670920 0.87 TSHR (0.42) TSHRMEN1KMT2ALMNAADRA1A
Trichloroacetic Acid SCHEMBL28665553 0.87 TSHR (0.42) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL9243012 0.83 TSHR (0.46) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL9412783 0.81 TSHR (0.43) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL7655973 0.79 TSHR (0.42) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL5244967 0.77 MEN1 (0.40) TSHRMEN1KMT2ALMNAADRA1A
Ammonia Solution, Strong SCHEMBL624387 0.77 MEN1 (0.40) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL11345569 0.75 MAPT (0.33) TSHRLMNAMAPTTP53
SCHEMBL11853880 0.75 MEN1 (0.39) TSHRMEN1KMT2ALMNAADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646757-A Cationic polymerization system and preparation method of high-unsaturation-degree isoolefin copolymer 中国石油化工股份有限公司 2016-06-08 CN claimed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
EP-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 EP disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
CN-114391017-A Glycerol-mannose-heptose phosphate derivatives and their use for modulating immune response 上海药苑生物科技有限公司 2022-04-22 CN disclosed
CN-113950245-A Herbicidal composition 石原产业株式会社 2022-01-18 CN disclosed
CN-113873887-A Herbicidal composition 石原产业株式会社 2021-12-31 CN disclosed
CN-102459354-B Photosensitive composition SANYO CHEMICAL IND LTD 2014-08-20 CN disclosed
US-20140045966-A1 PHOTOSENSITIVE COMPOSITION. CURED ARTICLE, AND METHOD FOR PRODUCING ACTINICALLY CURED ARTICLE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-13 US disclosed
CN-103176360-A Photosensitive composition SANYO CHEMICAL IND LTD 2013-06-26 CN disclosed
US-20120142967-A1 PROCESSES FOR THE PREPARATION OF 5-HT2C RECEPTOR AGONISTS ARENA PHARMACEUTICALS, INC. 2012-06-07 US disclosed
US-20120142806-A1 PHOTOSENSITIVE COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-07 US disclosed
EP-2443080-A2 PROCESS FOR THE PREPARATION OF 5-HT2C RECEPTOR AGONISTS Arena Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
EP-2441778-A1 PHOTOSENSITIVE COMPOSITION Sanyo Chemical Industries, Ltd. (JP) 2012-04-18 EP disclosed
WO-2010148207-A2 PROCESSES FOR THE PREPARATION OF 5-HT2C RECEPTOR AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
US-4845278-A Crosslinkable aramids ERHAN SEMIH (US) 1989-07-04 US disclosed
US-4293440-A HALOGENATED ALDEHYDE, SULFONATE, OR CARBOXYLATE HALLIBURTON COMPANY (US) 1981-10-06 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 (3 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-20120142967-A1 PROCESSES FOR THE PREPARATION OF 5-HT2C RECEPTOR AGONISTS HTR2C, HTR3C, HTR5A TSHR 302/4885MEN1 2296/4885KMT2A 652/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP TSHR 4724/4885MEN1 4130/4885KMT2A 2357/4885
US-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP TSHR 4724/4885MEN1 4130/4885KMT2A 2357/4885

“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.