SCHEMBL22652430

SCHEMBL22652430

COC(=O)C1CCCc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.38
MTNR1A P48039 2/20 0.38
ACHE P22303 1/20 0.38
NQO2 P16083 1/20 0.37
MTNR1B P49286 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 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
SCHEMBL23715022 0.91 HTR2A (0.41) HTR2AHTR2CHTR2BMTNR1ANQO2
SCHEMBL15897044 0.89 CAMK2A (0.45) KMT2ALMNAMAPTSLC6A4SLC6A3
SCHEMBL5847603 0.83 MTNR1A (0.54) MTNR1ANQO2MTNR1B
SCHEMBL24542973 0.83 LMNA (0.43) KMT2ALMNAHTR2AHTR2CHTR2B
SCHEMBL29673142 0.83 LMNA (0.43) KMT2ALMNAHTR2AHTR2CHTR2B
SCHEMBL14059338 0.82 KMT2A (0.39) KMT2ALMNAHTR2AHTR2CHTR2B
SCHEMBL14059398 0.82 TDP1 (0.38) KMT2AMAPTSLC6A4SLC6A3MEN1
SCHEMBL3353429 0.81 SIRT1 (0.44) KMT2ALMNAHTR2AHTR2CHTR2B
SCHEMBL1530291 0.79 SRD5A1 (0.44) MAPTSLC6A4SLC6A3
SCHEMBL30436687 0.79 SRD5A1 (0.44) MAPTSLC6A4SLC6A3

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-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 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-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 KMT2A 4317/4885LMNA 1549/4885HTR2A 4480/4885

“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.