SCHEMBL5865754

SCHEMBL5865754

CCCCOc1ccc(-c2ccc(OCC)c(F)c2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
S1PR1 P21453 3/20 0.46
KDM1A O60341 2/20 0.45
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAAA Q02083 1/20 0.43
THRA P10827 1/20 0.43

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
SCHEMBL9399572 0.95 S1PR1 (0.49) L3MBTL1S1PR1RARARARBCYP1A2
SCHEMBL9483702 0.93 L3MBTL1 (0.54) L3MBTL1S1PR1KDM1AKDM4EMEN1
SCHEMBL9399442 0.93 S1PR1 (0.51) L3MBTL1S1PR1RARARARBCYP1A2
SCHEMBL9399556 0.90 THRA (0.52) L3MBTL1S1PR1RARARARBTHRA
SCHEMBL9484097 0.90 THRA (0.52) L3MBTL1S1PR1RARARARBTHRA
SCHEMBL9484969 0.89 THRA (0.51) L3MBTL1S1PR1RARARARBTDP1
SCHEMBL9484876 0.89 L3MBTL1 (0.53) L3MBTL1KDM1AKDM4EMEN1ALDH1A1
SCHEMBL16855921 0.88 L3MBTL1 (0.45) L3MBTL1S1PR1KDM1ARARARARB
SCHEMBL16855838 0.88 L3MBTL1 (0.45) L3MBTL1S1PR1KDM1ARARARARB
SCHEMBL9484258 0.88 THRA (0.53) L3MBTL1S1PR1RARARARBTHRA

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
US-7087272-B2 negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements MERCK PATENT GMBH (DE) 2006-08-08 US disclosed
US-20040106798-A1 negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements MERCK PATENT GMBH (DE) 2004-06-03 US disclosed
EP-1373434-A1 FLUORINATED FLUORENE DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-02 EP disclosed
WO-2002079344-A1 FLUORINATED FLUORENE DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-10 WO 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-20040106798-A1 negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements H1-0, F3, H1-2 L3MBTL1 478/4885S1PR1 690/4885KDM1A 2501/4885

“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.