SCHEMBL4263497

SCHEMBL4263497

CC(C)(C)OCCCc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
HTR2A P28223 1/20 0.42
SIGMAR1 Q99720 1/20 0.37
IDO1 P14902 3/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HMOX1 P09601 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL25875524 0.82 TAAR1 (0.38) TAAR1HTR2ASIGMAR1IDO1PPARD
SCHEMBL16681950 0.81 KCNH2 (0.44) TAAR1HTR2ASIGMAR1PPARAL3MBTL1
SCHEMBL27936976 0.81 CALM1 (0.52) TAAR1SIGMAR1L3MBTL1KDM4EALDH1A1
SCHEMBL1414028 0.81 TAAR1 (0.42) TAAR1SIGMAR1IDO1
SCHEMBL14498980 0.80 IDO1 (0.55) SIGMAR1IDO1L3MBTL1POLB
SCHEMBL4858 0.78 TAAR1 (0.47) TAAR1HTR2ASIGMAR1IDO1NPC1
SCHEMBL28893555 0.77 TAAR1 (0.50) TAAR1HTR2ASIGMAR1IDO1HMOX1
SCHEMBL16241849 0.77 KDM4E (0.54) RAB9ASMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL11957478 0.75 IDO1 (0.52) TAAR1HTR2AIDO1NPC1RAB9A
SCHEMBL410888 0.75 DUT (0.40) TAAR1HTR2ASIGMAR1IDO1PPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318969-B2 Alignment material for liquid crystal display device of vertical alignment mode and method of preparing the same DONGJIN SEMICHEM CO., LTD. (KR) 2012-11-27 US disclosed
US-20090041955-A1 ALIGNMENT MATERIAL FOR LIQUID CRYSTAL DISPLAY DEVICE OF VERTICAL ALIGNMENT MODE AND METHOD OF PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2009-02-12 US disclosed
WO-2007097537-A1 ALIGNMENT MATERIAL FOR LIQUID CRYSTAL DISPLAY DEVICE OF VERTICAL ALIGNMENT MODE AND METHOD OF PREPARING THE SAME DONGJIN SEMICHEM CO., LTD (KR) 2007-08-30 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-20090041955-A1 ALIGNMENT MATERIAL FOR LIQUID CRYSTAL DISPLAY DEVICE OF VERTICAL ALIGNMENT MODE AND METHOD OF PREPARING THE SAME SDAD1, DVL1, VCL TAAR1 1370/4885HTR2A 2483/4885SIGMAR1 1932/4885

“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.