SCHEMBL23074702

SCHEMBL23074702

Fc1ccc(OCCN(CCOc2ccc(F)c(F)c2)C2CCCCCCC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ PARP15 Q460N3 1/20 0.37
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ LSS P48449 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR2A P28223 1/20 0.35

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
SCHEMBL23074668 0.86 LSS (0.46) TDP1SLC6A9LSS
SCHEMBL23074691 0.85 SLC6A9 (0.35) PARP10SLC6A9PARP15ALDH1A1HTR2A
SCHEMBL23074697 0.83 HTR2A (0.47) SLC6A9LSSLTA4HALDH1A1HTR2A
SCHEMBL23074657 0.81 SLC6A2 (0.40) ALDH1A1
SCHEMBL23074687 0.80 SLC6A9 (0.42) SLC6A9ALDH1A1HTR2A
SCHEMBL23074693 0.78 ADRA1D (0.40) ALDH1A1
SCHEMBL23074644 0.77 KDM4E (0.51) ALDH1A1
SCHEMBL23074671 0.76 ALDH1A1 (0.53) LTA4HALDH1A1
SCHEMBL22831335 0.76 KCNH2 (0.49) MAOBAOC3HTR2A
SCHEMBL31623323 0.76 KCNH2 (0.49) MAOBAOC3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2021-03-11 — — 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-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 PARP10 1886/4885TDP1 3859/4885SLC6A9 44/4885

“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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