SCHEMBL23074710

SCHEMBL23074710

CN(CCOc1ccncc1)C1CCCCCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LSS P48449 2/20 0.40
▸ LTA4H P09960 1/20 0.39

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
SCHEMBL23074699 0.84 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23074701 0.84 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23074662 0.84 LTA4H (0.50) PPARGLTA4H
SCHEMBL23074685 0.83 CHRNB2 (0.62) —
SCHEMBL12156434 0.82 NFE2L2 (0.56) PPARGLSS
SCHEMBL14484048 0.82 NFE2L2 (0.56) PPARGLSS
SCHEMBL15759205 0.81 KDM4E (0.51) HRH3PPARGLSS
SCHEMBL10264447 0.79 LTA4H (0.45) HRH4HRH3PPARGCYP1A2CYP2D6
SCHEMBL10202680 0.78 KDM4E (0.49) HRH3LSS
SCHEMBL14569763 0.77 LSS (0.53) PPARGLSS

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 HRH4 24/4885HRH3 10/4885PPARG 2306/4885

“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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