SCHEMBL837972

SCHEMBL837972

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
HCAR2 Q8TDS4 1/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL20972320 0.80 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL20972321 0.80 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL28957046 0.78 HCAR2 (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL10314120 0.77 TSHR (0.37) TSHRHCAR2CA12CA1CA2
SCHEMBL10314122 0.76 TSHR (0.36) TSHRHCAR2CA12CA1CA2
SCHEMBL30573445 0.75
SCHEMBL615765 0.75
SCHEMBL21107707 0.74 TSHR (0.39) TSHRHCAR2CA12CA1CA2
SCHEMBL29220266 0.74 TSHR (0.39) TSHRHCAR2CA12CA1CA2
SCHEMBL19157088 0.74 TSHR (0.39) TSHRHCAR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745375-B2 Adipate-type compounds and a process of preparing it HALDOR TOPSØE A/S (DK) 2020-08-18 US disclosed
US-20200115359-A1 NEW ADIPATE-TYPE COMPOUNDS AND A PROCESS OF PREPARING IT HALDOR TOPSØE A/S (DK) 2020-04-16 US disclosed
CN-109912416-A The method that catalytic oxidation prepares glufosinate-ammonium and L- phosphine oxamate key intermediate 洪湖市一泰科技有限公司 2019-06-21 CN disclosed
US-20190144415-A1 NEW ADIPATE-TYPE COMPOUNDS AND A PROCESS OF PREPARING IT HALDOR TOPSØE A/S (DK) 2019-05-16 US disclosed
EP-3452459-A1 NEW ADIPATE-TYPE COMPOUNDS AND A PROCESS OF PREPARING IT Haldor Topsøe A/S (DK) 2019-03-13 EP disclosed
WO-2017191282-A1 NEW ADIPATE-TYPE COMPOUNDS AND A PROCESS OF PREPARING IT HALDOR TOPSØE A/S (DK) 2017-11-09 WO disclosed
CN-101898955-B Zeolite-catalyzed preparation of alpha-hydroxy carboxylic acid compounds and esters thereof HALDOR TOPSOE AS 2014-07-16 CN disclosed
EP-2184270-B1 Zeolite-catalyzed preparation of alpha-hydroxy carboxylic acid compounds and esters thereof HALDOR TOPSOE AS (DK) 2013-02-13 EP disclosed
US-8143439-B2 Zeolite-catalyzed preparation of alpha-hydroxy carboxylic acids and esters thereof HALDOR TOPSØE A/S (DK) 2012-03-27 US disclosed
CN-101898955-A Zeolite-catalyzed preparation of alpha-hydroxy carboxylic acid compounds and esters thereof HALDOR TOPSOE AS 2010-12-01 CN disclosed
US-20100121096-A1 ZEOLITE-CATALYZED PREPARATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS AND ESTERS THEREOF TOPSOE A/S (DK) 2010-05-13 US disclosed
EP-2184270-A1 Zeolite-catalyzed preparation of alpha-hydroxy carboxylic acid compounds and esters thereof Haldor Topsoe A/S (DK) 2010-05-12 EP 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 (4 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-20190144415-A1 NEW ADIPATE-TYPE COMPOUNDS AND A PROCESS OF PREPARING IT ADIPOR1, FABP4, ADIPOR2 TSHR 4531/4885HCAR2 524/4885CA12 4234/4885
US-10745375-B2 Adipate-type compounds and a process of preparing it ADIPOR1, FABP4, ADIPOR2 TSHR 4519/4885HCAR2 566/4885CA12 4714/4885
US-20100121096-A1 ZEOLITE-CATALYZED PREPARATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS AND ESTERS THEREOF LDHA, HAO2, ALDOA TSHR 3225/4885HCAR2 41/4885CA12 125/4885
US-20200115359-A1 NEW ADIPATE-TYPE COMPOUNDS AND A PROCESS OF PREPARING IT ADIPOR1, FABP4, ADIPOR2 TSHR 4498/4885HCAR2 616/4885CA12 4669/4885

“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.