SCHEMBL257586

SCHEMBL257586

C/C=C\CCC(C)C1CCC2C3CCC4C(C)(C)C(Oc5cc(N)ccc5N)CCC4(C)C3CCC12C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.38
EPHA2 P29317 3/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
EFNA1 P20827 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
PTPN1 P18031 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL10015980 0.89 RORC (0.47) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL257593 0.87 CYP2D6 (0.48) LMNACYP2D6CYP2C19RORCINPP5D
SCHEMBL257580 0.87 CYP2D6 (0.40) CYP2D6CYP2C19INPP5D
SCHEMBL11994877 0.86 RORC (0.42) LMNACA1CA2PTPN1CYP2D6
SCHEMBL21391589 0.85 GPBAR1 (0.38) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL15043341 0.84 PTPN1 (0.40) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL9999583 0.84 RORC (0.46) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL9999572 0.82 CYP2D6 (0.48) LMNACYP2D6CYP2C19RORCINPP5D
SCHEMBL16982189 0.81 GPBAR1 (0.46) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL15495613 0.80 RORC (0.47) GPBAR1EPHA2AKR1B10AKR1B1EFNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018043325-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 2018-03-08 WO disclosed
WO-2018043326-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 2018-03-08 WO 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-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-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
WO-2012005266-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) 2012-01-12 WO disclosed
WO-2012002501-A1 LIQUID CRYSTAL ALIGNMENT TREATMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH THE LIQUID CRYSTAL ALIGNMENT FILM 日産化学工業株式会社 (JP) 2012-01-05 WO disclosed
WO-2011136371-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-11-03 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 GPBAR1 2509/4885EPHA2 4064/4885AKR1B10 468/4885

“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.