SCHEMBL1278737

SCHEMBL1278737

O=C(O)CC(C(=O)O)C1CC(C(=O)O)C(C(=O)O)c2ccccc21.[HH].[HH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
FFAR1 O14842 1/20 0.34
CPA1 P15085 2/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GRM2 Q14416 4/20 0.32
GRM3 Q14832 4/20 0.32
HSD11B1 P28845 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GRM8 O00222 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM7 Q14831 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL29671495 0.99 CYP1A2 (0.49) CYP1A2TSHRFFAR1CPA1CPB1
SCHEMBL64253 0.99 CYP1A2 (0.49) CYP1A2TSHRFFAR1CPA1CPB1
SCHEMBL14828341 0.86 CYP1A2 (0.39) CYP1A2TSHRFFAR1CPA1CPB1
SCHEMBL12311663 0.84 CYP1A2 (0.48) CYP1A2TSHRFFAR1CPA1CPB1
SCHEMBL17628485 0.82 CYP1A2 (0.35) CYP1A2TSHRFFAR1GRM2GRM3
SCHEMBL14647783 0.80 CYP1A2 (0.35) CYP1A2TSHRFFAR1GRM2GRM3
SCHEMBL14320110 0.76 MMP12 (0.33) MEN1KMT2A
SCHEMBL28373219 0.70 ALDH1A1 (0.44) CYP1A2FFAR1GRM2GRM3HSD11B1
SCHEMBL29508339 0.70 ALDH1A1 (0.44) CYP1A2FFAR1GRM2GRM3HSD11B1
SCHEMBL7956194 0.69 CYP1A2 (0.53) CYP1A2TSHRFFAR1HTR2CSLC6A3

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 2 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

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 CYP1A2 4533/4885TSHR 4015/4885FFAR1 2211/4885

“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.