SCHEMBL104893

SCHEMBL104893

CC=Cc1c(N2CCN(CCOCc3ccccc3)CC2)ccc(C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
TEAD3 Q99594 1/20 0.45
LTA4H P09960 1/20 0.41
DRD2 P14416 12/20 0.41
DRD4 P21917 12/20 0.41
DRD3 P35462 12/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL103484 0.87 MEN1 (0.44) MEN1KMT2AGAATEAD3LTA4H
SCHEMBL103640 0.79 MEN1 (0.47) MEN1KMT2AGAATEAD3LTA4H
SCHEMBL103639 0.79 MEN1 (0.47) MEN1KMT2AGAATEAD3LTA4H
SCHEMBL102930 0.75 DRD2 (0.47) MEN1KMT2AGAATEAD3DRD2
SCHEMBL102932 0.75 DRD2 (0.47) MEN1KMT2AGAATEAD3DRD2
SCHEMBL103483 0.72 MEN1 (0.42) MEN1KMT2AGAATEAD3DRD2
SCHEMBL102543 0.70 MEN1 (0.47) MEN1KMT2AGAATEAD3LTA4H
SCHEMBL102207 0.70 MEN1 (0.47) MEN1KMT2AGAATEAD3LTA4H
SCHEMBL19557301 0.70 LTA4H (0.75) MEN1KMT2AGAATEAD3LTA4H
SCHEMBL26981197 0.70 LTA4H (0.75) MEN1KMT2AGAATEAD3LTA4H

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-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 MEN1 3479/4885KMT2A 2327/4885GAA 2147/4885

“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.