SCHEMBL16694153

SCHEMBL16694153

CC(C)(C)[PH+](c1cc(-c2ccccc2)cc(-c2ccccc2)c1)C(C)(C)C.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 1/20 0.35
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
DHODH Q02127 4/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.31
EGFR P00533 1/20 0.31
TACR1 P25103 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
GLO1 Q04760 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
SLC6A4 P31645 1/20 0.30
MAPK1 P28482 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
SCHEMBL16694052 0.87 KIF11 (0.36) KIF11ALDH1A1ACMSDPTPN1
SCHEMBL29590062 0.85 ALDH1A1 (0.32) KIF11ALDH1A1DHODH
SCHEMBL16694347 0.84 KIF11 (0.40) KIF11ALDH1A1SMN1; SMN2ACHETAAR1
SCHEMBL2886802 0.81 MAPK1 (0.36) KIF11ALDH1A1ACHEMAPK1
SCHEMBL29590024 0.80 PSMB5 (0.36) ALDH1A1DHODHSMN1; SMN2
SCHEMBL16694120 0.72 CYP2A6 (0.38) ALDH1A1KDM4EMEN1KMT2APTPN1
SCHEMBL29592146 0.72 CYP2A6 (0.38) ALDH1A1KDM4EMEN1KMT2APTPN1
SCHEMBL16694096 0.71
SCHEMBL16694304 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16694151 0.69 GABRA1 (0.39) KDM4E

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 KIF11 1454/4885ALDH1A1 2296/4885AKR1C2 1778/4885

“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.