SCHEMBL25914832

SCHEMBL25914832

CC(C)c1cccc(-c2cccc(Br)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
GABRG2 P18507 6/20 0.45
GABRB3 P28472 6/20 0.45
GABRA5 P31644 6/20 0.45
GABRA3 P34903 6/20 0.45
GABRA1 P14867 5/20 0.45
PTPN5 P54829 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MDM4 O15151 1/20 0.41

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
SCHEMBL9876346 0.87 RXRA (0.45) RXRARXRBRXRGGABRG2GABRB3
SCHEMBL135394 0.87 ALDH1A1 (0.48) RXRARXRBRXRGSMN1; SMN2NPC1
SCHEMBL29427056 0.87 ALDH1A1 (0.48) RXRARXRBRXRGSMN1; SMN2NPC1
SCHEMBL5352034 0.87 RXRA (0.62) RXRARXRBRXRGPTPN5SMN1; SMN2
SCHEMBL25906400 0.86 RXRA (0.59) RXRARXRBRXRGPTPN5SMN1; SMN2
Ammonia Solution, Strong SCHEMBL3178489 0.85 ALDH1A1 (0.46) RXRARXRBRXRGSMN1; SMN2NPC1
SCHEMBL1223707 0.85 ALDH1A1 (0.46) RXRARXRBRXRGSMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL27726646 0.85 ALDH1A1 (0.46) RXRARXRBRXRGSMN1; SMN2NPC1
SCHEMBL598181 0.84 RXRA (0.66) RXRARXRBRXRGPTPN5SMN1; SMN2
Hydrochloric Acid SCHEMBL3176977 0.83 IDO1 (0.48) RXRARXRBRXRGSMN1; SMN2NPC1

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-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 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-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.