SCHEMBL16249736

SCHEMBL16249736

O=C(O)CC(CC(=O)O)c1ccc(C(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 4/20 0.61
▸ GABBR1 Q9UBS5 4/20 0.61
▸ LMNA P02545 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPT P10636 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PTPN1 P18031 2/20 0.47

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
SCHEMBL11229344 0.91 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL503819 0.90 GABBR2 (0.76) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL2223571 0.89 FNTA (0.54) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL657687 0.89 FNTA (0.54) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL391659 0.89 GABBR2 (0.79) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL660764 0.89 FNTA (0.54) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL2386276 0.89 GABBR2 (0.57) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL6734410 0.87 GABBR2 (0.73) GABBR2GABBR1LMNACYP2C9MEN1
Hydrochloric Acid SCHEMBL7092228 0.87 GABBR2 (0.73) GABBR2GABBR1LMNACYP2C9MEN1
Hydrochloric Acid SCHEMBL7334847 0.87 FNTA (0.52) GABBR2GABBR1LMNACYP2C9MEN1

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
CN-108821966-B Method for synthesizing 3,3' - (1,4-phenylene) bis-glutaric acid 江苏理工学院 2021-08-24 — — CN claimed
CN-108821966-B Method for synthesizing 3,3' - (1,4-phenylene) bis-glutaric acid 江苏理工学院 2021-08-24 — — CN disclosed
CN-108821966-B Method for synthesizing 3,3' - (1,4-phenylene) bis-glutaric acid 江苏理工学院 2021-08-24 — — CN disclosed
CN-108821966-B Method for synthesizing 3,3' - (1,4-phenylene) bis-glutaric acid 江苏理工学院 2021-08-24 — — CN disclosed
CN-108821966-A A method of synthesis 3,3`- (1,4- phenylene) double glutaric acids 江苏理工学院 2018-11-16 — — CN disclosed
US-20150056367-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT SOKI CORPORATION (JP) 2015-02-26 — — US disclosed
EP-2827188-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT Soki Corporation (JP) 2015-01-21 — — EP disclosed
US-20140378645-A1 LIQUID CRYSTAL ALIGNING AGENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-25 — — US disclosed
EP-2803672-A1 LIQUID CRYSTAL ALIGNING AGENT Wako Pure Chemical Industries, Ltd. (JP) 2014-11-19 — — EP 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-20140378645-A1 LIQUID CRYSTAL ALIGNING AGENT CYP17A1, AUP1, NR5A1 GABBR2 1459/4885GABBR1 1409/4885LMNA 33/4885

“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.

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