SCHEMBL12377749

SCHEMBL12377749

CC(C)C(=O)/C=C\C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
TP53 P04637 2/20 0.53
EGLN1 Q9GZT9 1/20 0.53
EGLN3 Q9H6Z9 1/20 0.53
HCAR2 Q8TDS4 5/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46

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
SCHEMBL2622481 1.00 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL10308367 0.87 GABRP (0.35) TP53HCAR2ALDH1A1GAAGABRP
SCHEMBL10308366 0.87 GABRP (0.35) TP53HCAR2ALDH1A1GAAGABRP
Maleic Acid SCHEMBL28723595 0.81 TSHR (0.60) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL8132724 0.81 TSHR (0.60) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL8132728 0.81 TSHR (0.60) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL10942826 0.80 TSHR (0.50) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL19976103 0.80 TSHR (0.50) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL25665585 0.78 GABRP (0.32) TP53HCAR2ALDH1A1GAAGABRP
SCHEMBL1413242 0.78 TSHR (0.47) TSHRTP53EGLN1EGLN3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649325-B2 Actinically-crosslinkable polysiloxane-polyglycerol block copolymers and methods of making and use thereof Clearlab Sg Pte Ltd. (SG) 2023-05-16 US disclosed
US-9921230-B2 Methods for diagnosis and treatment of concussion or brain injury RHODE ISLAND HOSPITAL (US) 2018-03-20 US disclosed
US-20170363637-A1 Method and Kit for Determining Risk of Preterm Birth and/or Birth of Low-Birth-Weight Baby HIROSHIMA UNIVERSITY (JP) 2017-12-21 US disclosed
US-20160103140-A1 Methods for Diagnosis and Treatment of Concussion or Brain Injury RHODE ISLAND HOSPITAL 2016-04-14 US disclosed
US-8969303-B2 Tocotrienol esters FIRST TECH INTERNATIONAL LIMITED (CN) 2015-03-03 US disclosed
US-20110196030-A1 TOCOTRIENOL ESTERS FIRST TECH INTERNATIONAL LIMITED (CN) 2011-08-11 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-20170363637-A1 Method and Kit for Determining Risk of Preterm Birth and/or Birth of Low-Birth-Weight Baby LGALS3, LGALS3BP, LGALS1 TSHR 2759/4885TP53 4398/4885EGLN1 2964/4885
US-20110196030-A1 TOCOTRIENOL ESTERS TTPA, MBOAT1, TBXAS1 TSHR 635/4885TP53 4311/4885EGLN1 2576/4885

“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.