SCHEMBL2948875

SCHEMBL2948875

O=C1CCCCCCCCCC1Br

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 3/20 0.48
CA6 P23280 2/20 0.39
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TLR4 O00206 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MT-CO2 P00403 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL9816263 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL11230938 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL6627461 1.00
SCHEMBL7530097 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL21495046 0.97
SCHEMBL918055 0.97
Ethylene SCHEMBL7388735 0.95 KMT2A (0.48) KMT2ACA1CA2CA4CA6
SCHEMBL2342739 0.89
SCHEMBL13125935 0.75 KMT2A (0.46) KMT2ACA1CA2CA4CA6
SCHEMBL1551749 0.74

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
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 WO 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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 KMT2A 2499/4885CA1 3023/4885CA2 1421/4885

“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.