SCHEMBL23074697

SCHEMBL23074697

Fc1ccc(OCCN(CCOc2ccc(F)cc2)C2CCCCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.44
▸ SLC6A9 P48067 1/20 0.42
▸ LTA4H P09960 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LSS P48449 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
SCHEMBL2352010 0.91 HTR2A (0.52) HTR2AHRH3SLC6A9KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2351409 0.90 HTR2A (0.51) HTR2AHRH3SLC6A9KDM4ESMN1; SMN2
SCHEMBL23074687 0.84 SLC6A9 (0.42) HTR2ASLC6A9ALDH1A1
SCHEMBL23074644 0.84 KDM4E (0.51) HRH3MEN1KMT2ANFE2L2KDM4E
SCHEMBL23074671 0.83 ALDH1A1 (0.53) LTA4HSMN1; SMN2ALDH1A1
SCHEMBL23074702 0.83 PARP10 (0.39) HTR2ASLC6A9LTA4HALDH1A1LSS
SCHEMBL23074657 0.82 SLC6A2 (0.40) ALDH1A1
SCHEMBL23074674 0.81 HRH3 (0.47) HRH3LTA4HMEN1LMNAHTT
SCHEMBL23074701 0.81 ALDH1A1 (0.43) LTA4HNFE2L2ALDH1A1
SCHEMBL23074699 0.81 ALDH1A1 (0.43) LTA4HNFE2L2ALDH1A1

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 HTR2A 1461/4885HRH3 10/4885SLC6A9 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.

Send feedback