SCHEMBL104254

SCHEMBL104254

CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3cnc4c(c3)OCCO4)C2=O)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
GAA P10253 1/20 0.32
ADAMTS5 Q9UNA0 5/20 0.32
MMP2 P08253 2/20 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
SCHEMBL3590100 1.00 HTT (0.39) HTTPOLBL3MBTL1ALDH1A1MAPT
SCHEMBL3590106 1.00 HTT (0.39) HTTPOLBL3MBTL1ALDH1A1MAPT
SCHEMBL106171 0.92 HTT (0.40) HTTPOLBL3MBTL1NR1H2NR1H3
SCHEMBL3599015 0.92 HTT (0.40) HTTPOLBL3MBTL1NR1H2NR1H3
SCHEMBL171278 0.90 HTT (0.38) HTTPOLBL3MBTL1NR1H2NR1H3
SCHEMBL106476 0.90 HTT (0.43) HTTPOLBL3MBTL1NR1H2NR1H3
SCHEMBL106474 0.90 HTT (0.43) HTTPOLBL3MBTL1NR1H2NR1H3
SCHEMBL106475 0.90 HTT (0.43) HTTPOLBL3MBTL1NR1H2NR1H3
SCHEMBL3604244 0.85 NR1H2 (0.42) POLBNR1H2NR1H3ADAMTS5
SCHEMBL3604240 0.85 NR1H2 (0.42) POLBNR1H2NR1H3ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
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
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 HTT 2209/4885POLB 2961/4885L3MBTL1 1132/4885

“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.