SCHEMBL23074690

SCHEMBL23074690

Fc1ccc(F)c(OCCNC2CCCCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ADRA1D P25100 12/20 0.53
▸ OPRL1 P41146 2/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ADRA1A P35348 5/20 0.47
▸ ADRA1B P35368 4/20 0.47
▸ HTR1A P08908 1/20 0.47

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
SCHEMBL23067909 0.76 ADRA1D (0.50) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL12204109 0.75 OPRL1 (0.50) ALDH1A1KDM4EOPRL1
SCHEMBL23074693 0.74 ADRA1D (0.40) ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL29985588 0.74 KDM4E (0.67) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL23067907 0.73 HTR1B (0.49) KDM4EADRA1DADRA1AADRA1B
SCHEMBL23074689 0.72 ADRA1D (0.39) ALDH1A1ADRA1D
SCHEMBL29985842 0.72 KDM4E (0.68) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL29045820 0.71 FOXM1 (0.61) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL26269093 0.71 PABPC1 (0.57) ALDH1A1KDM4EOPRL1CYP2D6
SCHEMBL12204097 0.70 OPRL1 (0.49) ALDH1A1KDM4EOPRL1

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 ALDH1A1 4738/4885KDM4E 3830/4885ADRA1D 2405/4885

“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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