SCHEMBL6534928

SCHEMBL6534928

CCCCCCCCOc1ccc(-c2ccc(O)cn2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
ATM Q13315 1/20 0.49
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR5A1 Q13285 1/20 0.42
S1PR2 O95136 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42

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
SCHEMBL9850823 0.85 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL9850625 0.85 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL9806818 0.85 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL9850805 0.85 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL24018551 0.84 NR5A1 (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL8454371 0.84 NR5A1 (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9806819 0.84 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL9806797 0.84 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL9192073 0.84 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL9806816 0.84 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTSTAT3

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-6737124-B2 ESPECIALLY DISILANES DISPLAYTECH, INC. 2004-05-18 US disclosed
US-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2003-01-02 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-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion FFAR3, FFAR1, LPAR1 NPC1 393/4885RAB9A 1832/4885SMN1; SMN2 3758/4885

“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.