SCHEMBL12554332

SCHEMBL12554332

CCCC(Cl)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MIF P14174 1/20 0.42
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
CYP17A1 P05093 1/20 0.41

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
SCHEMBL28126683 0.89 MMP13 (0.44) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL7109235 0.83 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL10481599 0.79 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL1198451 0.79 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL4742927 0.79 CYP17A1 (0.51) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL11616307 0.78 AOC3 (0.46) L3MBTL1TAS1R3TAS1R1AOC3
SCHEMBL6222278 0.78 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL10052129 0.78 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL20969742 0.78 CYP1A2 (0.48) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL28343944 0.78 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MyCell Holdings Limited 2011-06-02 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-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 ALDH1A1 3372/4885TSHR 3787/4885MAPK1 4074/4885

“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.