SCHEMBL1688867

SCHEMBL1688867

CCc1ccc(-c2ccc(OCc3cc(C)cc(C)c3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.54
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
SOD1 P00441 1/20 0.46
GSTP1 P09211 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 1/20 0.42
PTGER4 P35408 2/20 0.42
MAOB P27338 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TSPO P30536 1/20 0.41

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
SCHEMBL3439660 0.87 PARP10 (0.58) PARP10GSTP1HDAC8FFAR1NPC1
SCHEMBL12885558 0.86 MAOB (0.56) PARP10RXRARXRBGSTP1TDP1
SCHEMBL10017577 0.85 RXRA (0.47) PARP10RXRARXRBSOD1GSTP1
SCHEMBL18027651 0.84 GSTP1 (0.57) PARP10GSTP1L3MBTL1FFAR1RAB9A
SCHEMBL13929692 0.80 MAOB (0.61) PARP10RXRARXRBSOD1TDP1
SCHEMBL15336496 0.80 MAOB (0.61) PARP10RXRARXRBSOD1TDP1
SCHEMBL13462732 0.79 GSTP1 (0.63) RXRARXRBGSTP1L3MBTL1FFAR1
SCHEMBL12806827 0.79 RXRA (0.60) RXRARXRBGSTP1L3MBTL1FFAR1
SCHEMBL5370546 0.78 PARP10 (0.65) PARP10HDAC8TDP1L3MBTL1RAB9A
SCHEMBL6734353 0.78 PARP10 (0.47) PARP10RXRARXRBHDAC8TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011772-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-03 US disclosed
US-9976086-B2 Liquid crystal aligning agent containing polyimide precursor having thermally-leaving group and/or polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
US-20160264867-A1 LIQUID CRYSTAL ALIGNING AGENT CONTAINING POLYIMIDE PRECURSOR HAVING THERMALLY-LEAVING GROUP AND/OR POLYIMIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-09-15 US disclosed
US-20160244673-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 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-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 PARP10 1143/4885RXRA 2493/4885RXRB 3550/4885

“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.