SCHEMBL23074692

SCHEMBL23074692

CC(C)c1ccc(OCCN(CCOc2ccc(C(C)C)cc2)C2CCCCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PSMB1 P20618 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL23074644 0.83 KDM4E (0.51) KMT2AMEN1ALDH1A1L3MBTL1NFE2L2
SCHEMBL23074674 0.81 HRH3 (0.47) KMT2AMEN1ALDH1A1LMNANFE2L2
SCHEMBL23074697 0.80 HTR2A (0.47) KMT2AMEN1ALDH1A1LMNANFE2L2
SCHEMBL23074671 0.80 ALDH1A1 (0.53) ALDH1A1LTA4HSMN1; SMN2
SCHEMBL23074677 0.79 HRH3 (0.50) KMT2AMEN1ALDH1A1PSMB1PSMB5
SCHEMBL22831355 0.77 KCNH2 (0.53) KMT2AMEN1ALDH1A1LMNANFE2L2
SCHEMBL23074701 0.77 ALDH1A1 (0.43) ALDH1A1NFE2L2LTA4HTSHR
SCHEMBL23074699 0.77 ALDH1A1 (0.43) ALDH1A1NFE2L2LTA4HTSHR
SCHEMBL14725174 0.77 NFE2L2 (0.69) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL12906998 0.77 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1LMNAGAA

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 KMT2A 3348/4885MEN1 3364/4885ALDH1A1 4738/4885

“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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