SCHEMBL106403

SCHEMBL106403

C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.39
GRM5 P41594 4/20 0.39
CHRM4 P08173 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL106404 1.00 RORC (0.39) RORCGRM5CHRM4LIPGKMT2A
SCHEMBL168096 0.91 SLC2A1 (0.44) RORCPDK2
SCHEMBL3592710 0.91 GRM5 (0.41) RORCGRM5KMT2AMAPTALDH1A1
SCHEMBL168097 0.91 SLC2A1 (0.44) RORCPDK2
SCHEMBL103414 0.91 GRM5 (0.41) RORCGRM5KMT2AMAPTALDH1A1
SCHEMBL138524 0.85 HTR1A (0.41) RORC
SCHEMBL138523 0.85 HTR1A (0.41) RORC
SCHEMBL102973 0.83 RORC (0.35) RORCLIPG
SCHEMBL132842 0.83 GRM5 (0.42) RORCGRM5NPC1ALDH1A1
SCHEMBL103871 0.82 SMARCA2 (0.43) RORCPDK1PDK2PDK3PDK4

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 4 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
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 RORC 19/4885GRM5 1608/4885CHRM4 531/4885

“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.