SCHEMBL1688853

SCHEMBL1688853

CCC1CCC(c2ccc(Oc3ccc(C)cc3C)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MCHR1 Q99705 7/20 0.38
LIPG Q9Y5X9 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
CCR5 P51681 1/20 0.33
DRD2 P14416 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1688863 0.85 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3MCHR1LIPG
SCHEMBL13308495 0.85 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3MCHR1LMNA
SCHEMBL13335114 0.85 ESR2 (0.44) SLC6A4SLC6A2SLC6A3MCHR1LIPG
SCHEMBL18027649 0.83 ESR2 (0.44) SLC6A4SLC6A2SLC6A3MCHR1LIPG
SCHEMBL16015355 0.83 HAO1 (0.43) SLC6A4SLC6A2SLC6A3KCNH2LMNA
SCHEMBL1689320 0.82 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3MCHR1LIPG
SCHEMBL10017553 0.77 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3MCHR1HTR2A
SCHEMBL10607267 0.77 ESR2 (0.46) LMNADRD2
SCHEMBL28452075 0.75 SLC6A4 (0.45) SLC6A4LIPGHTR2AKCNH2L3MBTL1
SCHEMBL11134743 0.75 CYP2A6 (0.43) SLC6A4SLC6A2SLC6A3HTR2CLMNA

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 9 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-8829153-B2 Polyimide precursor composition containing polyamic acid alkyl ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-09 US disclosed
US-20120101236-A1 POLYIMIDE PRECURSOR COMPOSITION CONTAINING POLYAMIC ACID ALKYL ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-26 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 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 SLC6A4 4287/4885SLC6A2 3734/4885SLC6A3 2424/4885

“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.