SCHEMBL5848115

SCHEMBL5848115

CCCCCCCC1CCC(c2ccc(-c3ccc(OC[C@@H](F)CCCCCC)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 3/20 0.36
CYP2C9 P11712 2/20 0.36
S1PR3 Q99500 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
RARB P10826 3/20 0.34
SLC2A1 P11166 1/20 0.34
P2RY14 Q15391 1/20 0.34

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
SCHEMBL8021886 0.96 RAB9A (0.39) RAB9AMAPTGAASPHK1CYP2C9
SCHEMBL11275973 0.89 GPR88 (0.38) RAB9AMAPTGAASPHK1CYP2C9
SCHEMBL11286172 0.89 GPR88 (0.38) RAB9AMAPTGAASPHK1CYP2C9
SCHEMBL11287853 0.89 GPR88 (0.38) RAB9AMAPTGAASPHK1CYP2C9
SCHEMBL11270589 0.89 GPR88 (0.38) RAB9AMAPTGAASPHK1CYP2C9
SCHEMBL11277030 0.89 GPR88 (0.38) RAB9AMAPTGAASPHK1CYP2C9
SCHEMBL11284184 0.87 GPR88 (0.38) RAB9AMAPTGAASPHK1CYP2C9
SCHEMBL11058858 0.86 RAB9A (0.39) RAB9AMAPTGAASPHK1CYP2C9
SCHEMBL9417019 0.86 LMNA (0.43) RAB9AMAPTCYP2C9ALDH1A1LMNA
SCHEMBL11284320 0.85 RAB9A (0.48) RAB9AMAPTGAASPHK1CYP2C9

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-7026021-B2 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2006-04-11 US disclosed
US-20050056812-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-03-17 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-20050056812-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures CHRM1, SCO2, CHRM2 RAB9A 2079/4885MAPT 3342/4885GAA 4835/4885

“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.