SCHEMBL168096

SCHEMBL168096

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
TACR1 P25103 1/20 0.43
RORC P51449 5/20 0.41
BACE1 P56817 1/20 0.41
TLR9 Q9NR96 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
ACHE P22303 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
PDK2 Q15119 1/20 0.39
STS P08842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
YAP1 P46937 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37

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
SCHEMBL168097 1.00 SLC2A1 (0.44) SLC2A1TACR1RORCBACE1TLR9
SCHEMBL106404 0.91 RORC (0.39) RORCPDK2
SCHEMBL106403 0.91 RORC (0.39) RORCPDK2
SCHEMBL103872 0.89 SMARCA2 (0.43) SLC2A1TACR1RORCGPR119PDK2
SCHEMBL103873 0.89 SMARCA2 (0.43) SLC2A1TACR1RORCGPR119PDK2
SCHEMBL103871 0.89 SMARCA2 (0.43) SLC2A1TACR1RORCGPR119PDK2
SCHEMBL3592710 0.88 GRM5 (0.41) RORC
SCHEMBL103414 0.88 GRM5 (0.41) RORC
SCHEMBL105867 0.85 TACR1 (0.45) SLC2A1TACR1RORCBACE1TLR9
SCHEMBL104461 0.85 SMARCA2 (0.46) SLC2A1TACR1RORCBACE1TLR9

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 SLC2A1 1674/4885TACR1 891/4885RORC 19/4885

“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.