SCHEMBL16694307

SCHEMBL16694307

CC(C)(C)c1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
KIF11 P52732 3/20 0.34
ALDH1A1 P00352 5/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 2/20 0.32
HDAC1 Q13547 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
MEN1 O00255 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SRD5A2 P31213 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
SCHEMBL16694164 0.80 ACHE (0.35) ACHE
SCHEMBL16694561 0.80 TSHR (0.37) TSHRMAPTTDP1ACHECA2
SCHEMBL16694151 0.78 GABRA1 (0.39) MAPT
SCHEMBL2886802 0.77 MAPK1 (0.36) KIF11ALDH1A1MAPK1ACHE
SCHEMBL16694347 0.77 KIF11 (0.40) KIF11ALDH1A1MAPTMAPK1SLC22A2
SCHEMBL16694214 0.76 KIF11 (0.41) LMNAKIF11ALDH1A1NPC1RAB9A
SCHEMBL16694571 0.75 TYR (0.35) TYRHTT
SCHEMBL16694135 0.75 CA1 (0.44) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL16694094 0.75 LPL (0.38) TSHRLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL16694136 0.72 MAPT (0.37) TSHRLMNAKIF11ALDH1A1MAPT

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
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN 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 (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-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, DDT TSHR 3555/4885LMNA 4513/4885TYR 11/4885

“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.