SCHEMBL8664739

SCHEMBL8664739

CCCC[N+](CCCC)(CCCC)Cc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.44
HPGD P15428 1/20 0.43
KCNH2 Q12809 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
PSMD14 O00487 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
MC4R P32245 1/20 0.40
RAD52 P43351 1/20 0.40
DNM1 Q05193 2/20 0.39
SLC22A2 O15244 1/20 0.39
IDO1 P14902 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
Hydrochloric Acid SCHEMBL8959268 0.98 SLC22A1 (0.42) SLC22A1HPGDKCNH2HTTLMNA
SCHEMBL9409911 0.91 SLC22A1 (0.52) SLC22A1KCNH2HTTTSHRHIF1A
SCHEMBL8671617 0.85 SLC22A1 (0.56) SLC22A1KCNH2HTTTSHRHIF1A
SCHEMBL8671957 0.85 SLC22A1 (0.56) SLC22A1KCNH2HTTTSHRHIF1A
SCHEMBL14948313 0.84 PSMD14 (0.43) SLC22A1KCNH2HTTLMNACYP2D6
Tetrabuthylammonium SCHEMBL8027007 0.84 SLC22A1 (0.63) SLC22A1HPGDHTTTSHRHIF1A
SCHEMBL12704909 0.82 CYP2A6 (0.43) SLC22A1HPGDKCNH2HTTLMNA
SCHEMBL9409903 0.82 SLC22A1 (0.42) SLC22A1KCNH2HTTTSHRHIF1A
Hydrogen Sulfide SCHEMBL5998244 0.81 DNM1 (0.58) SLC22A1HTTDNM1MEN1KMT2A
SCHEMBL81000 0.81 DNM1 (0.58) SLC22A1HTTDNM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070036258-A1 Process for producing radioactive fluorine compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-02-15 US disclosed
EP-0878741-A2 Electrostatic image-developing toner Mitsubishi Chemical Corporation (JP) 1998-11-18 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-20070036258-A1 Process for producing radioactive fluorine compound AFF1, AFF4, RER1 SLC22A1 1378/4885HPGD 3177/4885KCNH2 803/4885

“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.