SCHEMBL3784543

SCHEMBL3784543

CCc1cc(C)cc(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.50
LIPG Q9Y5X9 9/20 0.50
CA2 P00918 2/20 0.39
ENPP2 Q13822 3/20 0.36
CA1 P00915 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33
ACHE P22303 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
TRPA1 O75762 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
SCHEMBL3791528 0.86 LPL (0.58) LPLLIPGCA2ENPP2CA1
SCHEMBL21787203 0.86 LPL (0.58) LPLLIPGCA2ENPP2CA1
SCHEMBL16021767 0.83 ENPP2 (0.50) LPLLIPGCA2ENPP2CA1
SCHEMBL6699947 0.81 LPL (0.38) LPLLIPGCA2ENPP2CA1
SCHEMBL7657848 0.78 CA2 (0.52) LPLLIPGCA2ENPP2CA1
SCHEMBL364635 0.78 CA2 (0.52) LPLLIPGCA2ENPP2CA1
SCHEMBL12714563 0.78 ALDH1A1 (0.39) LPLLIPGCA2ENPP2
SCHEMBL3786679 0.77 LPL (0.48) LPLLIPGCA2ENPP2CA1
SCHEMBL12247400 0.77 LPL (0.48) LPLLIPGCA2ENPP2CA1
SCHEMBL10136924 0.77 LPL (0.49) LPLLIPGCA2ENPP2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210347797-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-11-11 US disclosed
EP-3626724-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSTION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-25 EP disclosed
US-20200091441-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSTION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-03-19 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (3 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-20200091441-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSTION INCLUDING THE ORGANOMETALLIC COMPOUND NOM1, L1CAM, MEN1 LPL 2094/4885LIPG 3544/4885CA2 3071/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 LPL 3816/4885LIPG 3010/4885CA2 1992/4885
US-20210347797-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, TPO LPL 374/4885LIPG 1080/4885CA2 4046/4885

“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.