SCHEMBL6696979

SCHEMBL6696979

CC#CC(O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.51
AOC3 Q16853 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACP3 P15309 1/20 0.41
SLC2A1 P11166 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9942722 0.81 APP (0.53) FFAR1AOC3CA1CA2CA12
SCHEMBL1420018 0.78 ALDH1A1 (0.42) FFAR1AOC3CA1CA2CA12
SCHEMBL28924125 0.78 ALDH1A1 (0.42) FFAR1AOC3CA1CA2CA12
SCHEMBL8943724 0.78 CA1 (0.47) FFAR1AOC3CA1CA2CA12
SCHEMBL5323387 0.78 TSHR (0.54) AOC3CA1CA2CA12CA7
SCHEMBL9185138 0.78 TSHR (0.54) AOC3CA1CA2CA12CA7
SCHEMBL6168264 0.78 CA1 (0.46) AOC3CA1CA2CA12CA7
SCHEMBL1200448 0.78 TSHR (0.54) AOC3CA1CA2CA12CA7
SCHEMBL2683955 0.77 KMT2A (0.47) MAPK1ALDH1A1TSHRL3MBTL1ACP3
SCHEMBL22122696 0.77 KMT2A (0.47) MAPK1ALDH1A1TSHRL3MBTL1ACP3

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
CN-110156794-B Tricyclic fused triazole compound and preparation method and application thereof 天津理工大学 2021-11-09 CN disclosed
US-20040181094-A1 Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-09-16 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-20040181094-A1 Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants POLR1G, PYM1, APEX1 FFAR1 4767/4885AOC3 26/4885CA1 1493/4885

“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.