SCHEMBL9893493

SCHEMBL9893493

C=CC(OCC[N+](C)(C)CCCCCCCCCCCCCCCC)=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
DNM1 Q05193 8/20 0.35
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL13719576 1.00 HTT (0.36) HTTDNM1MLNRNR1I2ESR1
SCHEMBL9893609 0.91
SCHEMBL13719903 0.85 TSHR (0.41) ALDH1A1CYP3A4HPGDTSHRACHE
SCHEMBL1873359 0.85 HPGD (0.32) HPGDTSHR
SCHEMBL1445189 0.82 CHRM5 (0.36) PGRCHRM2HTR1AADRA2ACHRM1
SCHEMBL9893526 0.81 HTT (0.36) HTTDNM1MLNRNR1I2ESR1
SCHEMBL9485642 0.72 TSHR (0.61) HTTDNM1MLNRNR1I2ESR1
SCHEMBL3704021 0.72 TSHR (0.61) HTTDNM1MLNRNR1I2ESR1
SCHEMBL5693523 0.72 TSHR (0.61) HTTDNM1MLNRNR1I2ESR1
SCHEMBL9481026 0.72 TSHR (0.61) HTTDNM1MLNRNR1I2ESR1

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-9017716-B2 Ophthalmic lens MENICON CO., LTD. (JP) 2015-04-28 US disclosed
EP-2581394-A1 IONIC COMPOUND, COMPOSITION, CURED PRODUCT, HYDROGEL, AND OCULAR LENS Menicon Co., Ltd. (JP) 2013-04-17 EP disclosed
US-20120148519-A1 OPHTHALMIC LENS MENICON CO., LTD. (JP) 2012-06-14 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-20120148519-A1 OPHTHALMIC LENS AQP4, CRYAA, UACA HTT 586/4885DNM1 2296/4885MLNR 2739/4885

“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.