SCHEMBL22889067

SCHEMBL22889067

Bc1ccc(-c2cccc(C(C)C)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.59
▸ RXRB P28702 1/20 0.59
▸ RXRG P48443 1/20 0.59
▸ PTPN5 P54829 4/20 0.50
▸ HDAC4 P56524 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL598181 0.87 RXRA (0.66) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL5355878 0.85 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL29727265 0.85 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
Ethane SCHEMBL6908245 0.85 RXRA (0.63) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL5352034 0.85 RXRA (0.62) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL611807 0.83 RXRA (0.67) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL29681626 0.83 RXRA (0.67) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL14188565 0.81 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL22888510 0.80 RXRA (0.59) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL11111566 0.80 RXRA (0.59) RXRARXRBRXRGPTPN5HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 — — US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 — — 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 (2 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-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC RXRA 2013/4885RXRB 1550/4885RXRG 1124/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC RXRA 2013/4885RXRB 1550/4885RXRG 1124/4885

“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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