SCHEMBL3596590

SCHEMBL3596590

C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cn3)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.44
NR1H3 Q13133 6/20 0.44
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
MC4R P32245 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3596593 1.00 NR1H2 (0.44) NR1H2NR1H3GAALMNARECQL
SCHEMBL3604244 0.92 NR1H2 (0.42) NR1H2NR1H3LMNARECQLPOLB
SCHEMBL3604240 0.92 NR1H2 (0.42) NR1H2NR1H3LMNARECQLPOLB
SCHEMBL102924 0.92 NR1H2 (0.42) NR1H2NR1H3LMNARECQLPOLB
SCHEMBL3595318 0.86 HTT (0.38) NR1H2NR1H3GAAHTTPOLB
SCHEMBL104195 0.86 HTT (0.38) NR1H2NR1H3GAAHTTPOLB
SCHEMBL3586817 0.84 GAA (0.39) GAAHTTPOLBKMT2A
SCHEMBL103609 0.84 GAA (0.39) GAAHTTPOLBKMT2A
SCHEMBL3599015 0.83 HTT (0.40) NR1H2NR1H3GAAHTTPOLB
SCHEMBL106171 0.83 HTT (0.40) NR1H2NR1H3GAAHTTPOLB

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 2 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
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 NR1H2 1/4885NR1H3 2/4885GAA 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.