SCHEMBL18245366

SCHEMBL18245366

CC(C)COc1ccc(B(c2ccc(OCC(C)C)cc2)c2ccc(OCC(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 3/20 0.46
XBP1 P17861 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
ACACB O00763 5/20 0.41
NR1H4 Q96RI1 2/20 0.40
S1PR1 P21453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL123415 0.86 MAPT (0.55) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL1962389 0.83 CA2 (0.52) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL20851318 0.79 MAPT (0.58) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL2800921 0.79 CA1 (0.47) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL7329813 0.77 NQO1 (0.67) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL3182331 0.77 HPGD (0.66) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL2231003 0.77 TSHR (0.50) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL19683652 0.76 MAPT (0.47) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL15114294 0.76 LMNA (0.57) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL4400577 0.76 MAPT (0.47) MAPTHPGDPOLBXBP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX MAPT 2226/4885HPGD 519/4885POLB 33/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 MAPT 3913/4885HPGD 2021/4885POLB 79/4885

“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.