SCHEMBL16694151

SCHEMBL16694151

CC(C)(C)c1cc([PH+](C(C)(C)C)C(C)(C)C)cc(C(C)(C)C)c1.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30

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
SCHEMBL29589961 0.80 KIF11 (0.41) POLBRXRARXRB
SCHEMBL16694214 0.80 KIF11 (0.41) POLBRXRARXRB
SCHEMBL16694307 0.78 TSHR (0.41) MAPT
SCHEMBL29590041 0.77 POLB (0.34) GABRA1GABRB2POLB
SCHEMBL29590018 0.77 RXRA (0.35) GABRA1GABRB2RXRARXRB
SCHEMBL16694096 0.76
SCHEMBL16694304 0.76 ALDH1A1 (0.31)
SCHEMBL16694611 0.71 HSPA5 (0.31)
SCHEMBL16694462 0.71
SCHEMBL16694130 0.71 ALDH1A1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN disclosed
US-11045796-B2 Process for producing aromatic compound, and palladium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 US disclosed
US-20180369799-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-12-27 US disclosed
EP-3385270-A1 METHOD FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX Sumitomo Chemical Company, Ltd (JP) 2018-10-10 EP disclosed
EP-2871198-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-06-14 EP disclosed
US-9453103-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-27 US disclosed
US-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
EP-2871198-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-05-13 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-11045796-B2 Process for producing aromatic compound, and palladium complex DDT, DRD1, DRD2 GABRA1 2639/4885GABRB2 2044/4885POLB 532/4885
US-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, DDT GABRA1 3212/4885GABRB2 3453/4885POLB 1118/4885
US-20180369799-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX DDT, DRD1, DRD2 GABRA1 2639/4885GABRB2 2044/4885POLB 532/4885

“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.