SCHEMBL2963336

SCHEMBL2963336

CCOC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PGD P52209 2/20 0.40
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32

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
Ethylene Glycol SCHEMBL3738613 0.94 PGD (0.37) TSHRPGDSLC1A3SLC1A2SLC1A1
Propylene Glycol SCHEMBL3729380 0.90 TDP1 (0.39) TSHRPGDTP53CYP2C9PDE4A
1,4-Butanediol SCHEMBL3744516 0.90 PGD (0.35) TSHRPGDCYP2C9PDE4ACHRM1
Di(Hydroxyethyl)Ether SCHEMBL3731848 0.87 ALDH1A1 (0.40) TSHRPGDTHRBCYP2C9PDE4A
SCHEMBL1196063 0.85 THRB (0.40) SLC1A3SLC1A2SLC1A1TP53THRB
SCHEMBL1160265 0.85 THRB (0.40) SLC1A3SLC1A2SLC1A1TP53THRB
SCHEMBL387178 0.85 THRB (0.40) SLC1A3SLC1A2SLC1A1TP53THRB
SCHEMBL3729351 0.81 TDP1 (0.38) PGDPDE4ATDP1
SCHEMBL2985403 0.79 MMP1 (0.32) PGDSLC1A3SLC1A2SLC1A1TP53
SCHEMBL2979038 0.79 ATM (0.41) TSHRPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020239083-A1 AEROSOL GENERATION OR SMOKING SYSTEM, OR ELECTRONIC CIGARETTE AND DEVICE THEREOF 钟术光 2020-12-03 WO claimed
WO-2020239083-A1 AEROSOL GENERATION OR SMOKING SYSTEM, OR ELECTRONIC CIGARETTE AND DEVICE THEREOF 钟术光 2020-12-03 WO disclosed
CN-111602850-A Aerosol generating or aerosolization system or electronic cigarette and device thereof 钟术光 2020-09-01 CN disclosed
CN-105267180-B Bupropion hydrochloride sustained-release capsule and preparation method thereof 上海爱的发制药有限公司 2018-11-27 CN disclosed
CN-102372533-A Unsymmetrical addition method of fluoroalkyl contained arone using tartaric acid derivative catalytic terminal alkyne zinc reagent Zhejiang xinhua pharmaceutical co ltd 2012-03-14 CN disclosed
US-7981920-B2 Addition salts of angiotensin-converting enzyme inhibitors with no donor acids, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-07-19 US disclosed
US-7766978-B2 Acidic hair dyeing method KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-03 US disclosed
US-20090100609-A1 ACIDIC HAIR DYE COMPOSITION KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2009-04-23 US disclosed
US-20090082393-A1 New addition salts of angiotensin-converting enzyme inhibitors with no donor acids, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-26 US disclosed
US-20070059458-A1 Cellulose acylate film, optically compensatory film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-03-15 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-20090100609-A1 ACIDIC HAIR DYE COMPOSITION H1-0, MRM1, H1-4 TSHR 3886/4885PGD 2259/4885SLC1A3 519/4885
US-20090082393-A1 New addition salts of angiotensin-converting enzyme inhibitors with no donor acids, a process for their preparation and pharmaceutical compositions containing them ACE, AGTR1, AGT TSHR 4422/4885PGD 2252/4885SLC1A3 499/4885

“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.