SCHEMBL3260125

SCHEMBL3260125

CC1(C)OB(c2ccc(NCc3ccccc3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.56
LPL P06858 10/20 0.56
HTT P42858 1/20 0.53
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
F11 P03951 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
DGAT1 O75907 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL10269020 0.94 LPL (0.56) LIPGLPLHTTCA1CA2
SCHEMBL17439342 0.84 LIPG (0.51) LIPGLPLHTTCYP1A2FFAR1
SCHEMBL9933163 0.83 FFAR1 (0.48) LIPGLPLCA1CA2CA12
SCHEMBL28388836 0.82 LPL (0.50) LIPGLPLHTTCA1CA2
SCHEMBL15549532 0.80 LTA4H (0.42) LIPGLPLHTTALDH1A1DGAT1
SCHEMBL15550766 0.80 DGAT1 (0.53) LIPGLPLALDH1A1DGAT1
SCHEMBL31240616 0.80 DGAT1 (0.53) LIPGLPLALDH1A1DGAT1
SCHEMBL17800073 0.79 DGAT1 (0.49) LIPGLPLDGAT1
SCHEMBL9986019 0.78 CA1 (0.61) LIPGLPLCA1CA2CA12
SCHEMBL1129188 0.78 LPL (0.65) LIPGLPLCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116492300-A Magnetic micro-robot with ROS response and shape self-adaptability, and preparation method and application thereof 华南理工大学 2023-07-28 CN disclosed
CN-111777699-A Preparation method of boric acid functional group resin 中国科学院青岛生物能源与过程研究所 2020-10-16 CN disclosed
US-8299290-B2 Boron containing functionalizing agent THE GOODYEAR TIRE & RUBBER COMPANY (US) 2012-10-30 US disclosed
US-20120029234-A1 BORON CONTAINING FUNCTIONALIZING AGENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 2012-02-02 US disclosed
US-8063152-B2 Boron containing functionalizing agent THE GOODYEAR TIRE & RUBBER COMPANY (US) 2011-11-22 US disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed
US-20090229729-A1 BORON CONTAINING FUNCTIONALIZING AGENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 2009-09-17 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 (2 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-20090229729-A1 BORON CONTAINING FUNCTIONALIZING AGENT BOLA2; BOLA2B, RBBP4, BRPF1 LIPG 2409/4885LPL 3041/4885HTT 1753/4885
US-20120029234-A1 BORON CONTAINING FUNCTIONALIZING AGENT BOLA2; BOLA2B, RBBP4, BRPF1 LIPG 2409/4885LPL 3041/4885HTT 1753/4885

“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.