SCHEMBL2601906

SCHEMBL2601906

CCC(C)CC(=O)/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
HCAR2 Q8TDS4 7/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 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
SCHEMBL6847496 0.79 TSHR (0.45) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL6847493 0.79 TSHR (0.45) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL769454 0.76 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL29895971 0.76 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL28847621 0.76 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL4349795 0.76 GABRP (0.43) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL4822272 0.75
Fumaric Acid SCHEMBL11114498 0.74 TSHR (0.56) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL28661687 0.74 TSHR (0.50) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL4902592 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 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 (1 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-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 TSHR 3410/4885TP53 4372/4885EGLN1 1611/4885

“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.