SCHEMBL836766

SCHEMBL836766

C=CC(O)C(=O)OCCCC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.62
HPGD P15428 1/20 0.62
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HCAR2 Q8TDS4 3/20 0.44
CYP3A4 P08684 1/20 0.42
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
EPHX1 P07099 1/20 0.37

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
SCHEMBL27950868 0.92 TSHR (0.53) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL19552359 0.88 TSHR (0.45) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL19552813 0.87 TSHR (0.48) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL19552658 0.83 TSHR (0.55) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL19552660 0.83 TSHR (0.55) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL14700651 0.80 TSHR (0.57) TSHRHPGDATMALDH1A1HCAR2
Acrylic Acid SCHEMBL31675161 0.79 TSHR (0.56) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL835605 0.79
SCHEMBL27553925 0.78 TSHR (0.55) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL22281529 0.78 TSHR (0.55) TSHRHPGDATMALDH1A1HCAR2

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 9 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
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
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
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 4531/4885HPGD 617/4885ATM 2943/4885
US-10745375-B2 Adipate-type compounds and a process of preparing it ADIPOR1, FABP4, ADIPOR2 TSHR 4519/4885HPGD 613/4885ATM 2087/4885
US-20100121096-A1 ZEOLITE-CATALYZED PREPARATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS AND ESTERS THEREOF LDHA, HAO2, ALDOA TSHR 3225/4885HPGD 388/4885ATM 4547/4885
US-20200115359-A1 NEW ADIPATE-TYPE COMPOUNDS AND A PROCESS OF PREPARING IT ADIPOR1, FABP4, ADIPOR2 TSHR 4498/4885HPGD 634/4885ATM 2192/4885

“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.