SCHEMBL5268765

SCHEMBL5268765

CCCC(CO)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
NPBWR1 P48145 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TRPA1 O75762 1/20 0.39
BCHE P06276 1/20 0.39
G6PC1 P35575 1/20 0.39
AOC3 Q16853 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL5268760 1.00 TSHR (0.46) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL18085353 1.00 TSHR (0.46) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL18109513 0.90 TSHR (0.44) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL18109511 0.90 TSHR (0.44) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL18087918 0.88 TSHR (0.45) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL28235122 0.85 TSHR (0.43) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL3300438 0.85 TSHR (0.49) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL3300446 0.85 TSHR (0.49) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL18085379 0.85 TSHR (0.49) TSHRKMT2AGAANPBWR1NPSR1
SCHEMBL7925104 0.85 TSHR (0.49) TSHRKMT2AGAANPBWR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287006-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2007-10-24 EP disclosed
US-7138547-B2 Antitumoral compounds PHARMA MAR, S.A. 2006-11-21 US disclosed
US-20040048834-A1 Antitumoral compounds PHARMA MAR, S.A. (ES) 2004-03-11 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 (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-20040048834-A1 Antitumoral compounds HCCS, MSR1, SUCNR1 TSHR 193/4885KMT2A 2360/4885GAA 3377/4885

“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.