SCHEMBL22831335

SCHEMBL22831335

CN(CCOc1ccc(F)c(F)c1)CCOc1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.49
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ FDPS P14324 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL31623323 1.00 KCNH2 (0.49) KCNH2HTR2ASLC6A4MAPTMAOB
SCHEMBL30174322 0.89 MAPT (0.55) HTR2ASLC6A4MAPTCHRNB2CHRNA4
SCHEMBL22831332 0.89 MAPT (0.55) HTR2ASLC6A4MAPTCHRNB2CHRNA4
SCHEMBL22831354 0.81 MAPT (0.44) KCNH2SLC6A4MAPTTSHRCHRNB2
SCHEMBL22831343 0.79 LTA4H (0.56) KCNH2SLC6A4TSHRFDPSDRD2
SCHEMBL2212307 0.79 LTA4H (0.46) MAPTMAOBAOC3
SCHEMBL23074668 0.77 LSS (0.46) —
SCHEMBL2923291 0.77 KDR (0.44) HTR2ASLC6A4MAOBAOC3
SCHEMBL31623324 0.76 CHRNB2 (0.51) KCNH2MAOBCHRNB2CHRNA4
SCHEMBL22831321 0.76 CHRNB2 (0.51) KCNH2MAOBCHRNB2CHRNA4

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-115318256-A Anion exchange-hydrophobic mixed mode chromatography resin 生物辐射实验室股份有限公司 2022-11-11 — — CN claimed
CN-111818980-B Anion exchange-hydrophobic mixed mode chromatography resins 生物辐射实验室股份有限公司 2022-10-11 — — CN claimed
US-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2021-03-11 — — US disclosed
US-20200406232-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESIN BIO-RAD LABORATORIES, INC. 2020-12-31 — — US disclosed
US-20200406232-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESIN BIO-RAD LABORATORIES, INC. 2020-12-31 — — 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 (2 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-20200406232-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESIN FCGRT, PBRM1, BCR KCNH2 3145/4885HTR2A 1773/4885SLC6A4 2765/4885
US-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 KCNH2 1383/4885HTR2A 1461/4885SLC6A4 234/4885

“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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