SCHEMBL11996648

SCHEMBL11996648

CCC(C)c1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
SELPLG Q14242 1/20 0.45
PTGS2 P35354 2/20 0.42
C3AR1 Q16581 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCB1 P08183 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5551237 0.85 TSHR (0.55) TSHRCA12CA1CA2CA9
Ethane SCHEMBL5663955 0.83 TSHR (0.53) TSHRCA12CA1CA2CA9
SCHEMBL28114560 0.82 TSHR (0.58) TSHRSELPLGCA12CA1CA2
SCHEMBL11996560 0.82 TSHR (0.48) TSHRPTGS2CA12CA1CA2
SCHEMBL9908237 0.81 CA12 (0.56) TSHRPTGS2CA12CA1CA2
SCHEMBL8731749 0.80 TSHR (0.64) TSHRCYP1A2MEN1KMT2AHPGD
SCHEMBL11996556 0.79 ABCB1 (0.50) TSHRMEN1KMT2AABCB1NPSR1
SCHEMBL11996568 0.79 TSHR (0.46) TSHRCA12CA1CA2CA9
SCHEMBL22193249 0.79 TSHR (0.46) TSHRCA12CA1CA2CA9
SCHEMBL25872426 0.79 TSHR (0.46) TSHRSELPLGC3AR1SLC6A4CYP1A2

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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 TSHR 1790/4885SELPLG 905/4885PTGS2 252/4885

“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.