SCHEMBL257593

SCHEMBL257593

CC(C)CCCC(C)C1CCC2C3CCC4C(C)(C)C(Oc5cc(N)ccc5N)CCC4(C)C3CCC12C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
INPP5D Q92835 1/20 0.48
SRD5A1 P18405 6/20 0.46
SRD5A2 P31213 3/20 0.46
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
NPC1L1 Q9UHC9 2/20 0.44
CDC25A P30304 4/20 0.43
POLA1 P09884 1/20 0.43
USP2 O75604 3/20 0.43
LMNA P02545 2/20 0.43
ABCB1 P08183 1/20 0.43
OSBP P22059 1/20 0.43
RORC P51449 1/20 0.43
OSBP2 Q969R2 1/20 0.43
CYP46A1 Q9Y6A2 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
SCHEMBL9999572 0.94 CYP2D6 (0.48) CYP2D6CYP2C19INPP5DSRD5A1SRD5A2
SCHEMBL257580 0.92 CYP2D6 (0.40) CYP2D6CYP2C19INPP5DSRD5A1SRD5A2
SCHEMBL11994877 0.89 RORC (0.42) CYP2D6CYP2C19INPP5DFNTAFNTB
SCHEMBL15806705 0.88 CYP2D6 (0.48) CYP2D6CYP2C19INPP5DSRD5A1SRD5A2
SCHEMBL30258263 0.87 CYP2D6 (0.47) CYP2D6CYP2C19INPP5DSRD5A1SRD5A2
SCHEMBL257586 0.87 GPBAR1 (0.38) CYP2D6CYP2C19INPP5DLMNARORC
SCHEMBL27635278 0.87 CYP2D6 (0.47) CYP2D6CYP2C19INPP5DSRD5A1SRD5A2
SCHEMBL15329098 0.87 CYP2D6 (0.47) CYP2D6CYP2C19INPP5DSRD5A1SRD5A2
SCHEMBL10015980 0.87 RORC (0.47) USP2LMNARORC
SCHEMBL15328622 0.86 SRD5A1 (0.46) CYP2D6CYP2C19INPP5DSRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447240-B2 Polyimide precursor modified with dicarboxylic acid anhydride, imidized polyimide and liquid crystal aligning agent using it NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-09-20 US disclosed
US-9447240-B2 Polyimide precursor modified with dicarboxylic acid anhydride, imidized polyimide and liquid crystal aligning agent using it NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-09-20 US disclosed
US-20140066590-A1 POLYIMIDE PRECURSOR MODIFIED WITH DICARBOXYLIC ACID ANHYDRIDE, IMIDIZED POLYIMIDE AND LIQUID CRYSTAL ALIGNING AGENT USING IT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-06 US disclosed
WO-2014030587-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2014-02-27 WO disclosed
WO-2013094618-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT USING SAME, AND COMPOUND 日産化学工業株式会社 (JP) 2013-06-27 WO disclosed
WO-2013081064-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 (JP) 2013-06-06 WO disclosed
WO-2012161329-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 (JP) 2012-11-29 WO disclosed
WO-2012029763-A1 DIAMINE, POLYIMIDE PRECURSOR, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT MATERIAL, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-03-08 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-20140066590-A1 POLYIMIDE PRECURSOR MODIFIED WITH DICARBOXYLIC ACID ANHYDRIDE, IMIDIZED POLYIMIDE AND LIQUID CRYSTAL ALIGNING AGENT USING IT CCDC22, RCC1, MACF1 CYP2D6 4364/4885CYP2C19 2862/4885INPP5D 1991/4885

“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.