SCHEMBL1688870

SCHEMBL1688870

CCOC(=O)c1cc(Oc2ccc(C)cc2)cc(Oc2ccc(C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP13 P45452 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
STS P08842 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL9923544 0.88 CA12 (0.61) PTGS2CA12CA1CA2CA7
SCHEMBL8737053 0.86 MEN1 (0.60) PTGS2TDP1L3MBTL1KMT2ALMNA
SCHEMBL851271 0.84 PARP15 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13308507 0.84 ESR1 (0.58) ESR1STSMAPT
SCHEMBL8656770 0.82 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL3439666 0.79 MAPT (0.61) TDP1KMT2AMMP13MAOBLMNA
SCHEMBL16270605 0.79 MEN1 (0.60) KMT2AMMP13MAPT
SCHEMBL11247417 0.79 PTGS2 (0.56) PTGS2CA12CA1CA2CA7
SCHEMBL235800 0.78 CA2 (0.73) CA12CA1CA2CA7CA9
Ethylene Glycol SCHEMBL6701397 0.77 CA12 (0.61) CA12CA1CA2CA7CA9

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-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
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 PTGS2 4479/4885CA12 1392/4885CA1 247/4885

“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.