SCHEMBL9935287

SCHEMBL9935287

Cc1cc2ccccc2[n+](C[n+]2cc(C)cc3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ATM Q13315 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BCHE P06276 8/20 0.38
▸ ACHE P22303 8/20 0.38
▸ NPC1 O15118 1/20 0.38

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
Iodide SCHEMBL29227332 0.85 KMT2A (0.42) KMT2AKDM4EATMMEN1CYP2A6
SCHEMBL17193116 0.75 TERT (0.44) KMT2AATMMEN1CYP2A6TDP1
Bromide SCHEMBL5255425 0.74 KMT2A (0.71) KMT2AKDM4EATMMEN1SMN1; SMN2
SCHEMBL2796407 0.73 ATM (0.50) KMT2AKDM4EATMMEN1CYP2A6
SCHEMBL25803712 0.71 CYP2A6 (0.39) KMT2AKDM4EATMMEN1CYP2A6
SCHEMBL9935936 0.67 ACHE (0.68) BCHEACHE
SCHEMBL13043235 0.67 KDM4E (0.56) KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL16470252 0.65 MEN1 (0.42) KMT2AKDM4EATMMEN1CYP2A6
SCHEMBL25334051 0.65 ACHE (0.67) KMT2AKDM4EMEN1RAB9ASMN1; SMN2
SCHEMBL17187221 0.64 CYP2A6 (0.50) KMT2AKDM4EATMMEN1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 — — US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 — — EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 — — 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 (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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 KMT2A 4633/4885KDM4E 4681/4885ATM 665/4885

“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.

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