SCHEMBL25555307

SCHEMBL25555307

CCc1ccc(OCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 1.00
RXRB P28702 5/20 1.00
NPC1 O15118 3/20 0.76
RAB9A P51151 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
POLB P06746 1/20 0.76
NR4A2 P43354 4/20 0.72
NR4A1 P22736 1/20 0.72
NR4A3 Q92570 1/20 0.72
ALDH1A1 P00352 1/20 0.69
PLA2G4B P0C869 2/20 0.66
SRD5A2 P31213 1/20 0.66
PTPRC P08575 1/20 0.62
PTPN2 P17706 1/20 0.62
PTPN1 P18031 1/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
PARP10 Q53GL7 1/20 0.59
KDM4E B2RXH2 1/20 0.59

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
SCHEMBL8861229 1.00 RXRA (1.00) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL8134318 0.91 NR4A2 (0.85) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL898771 0.87 RXRA (0.77) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL17112801 0.87 RXRA (0.77) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL9372929 0.87 RXRA (0.77) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL16550312 0.86 RXRA (0.76) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL28335896 0.86 RAB9A (1.00) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL6520330 0.86 RXRA (0.76) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL1186510 0.86 RAB9A (1.00) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL12086470 0.85 RAB9A (0.80) RXRARXRBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2023-09-12 US disclosed
US-20230174474-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS BATTERJEE MEDICAL COLLEGE (SA) 2023-06-08 US disclosed
US-20230174475-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS BATTERJEE MEDICAL COLLEGE (SA) 2023-06-08 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 (3 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-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors ALDH1A1, ADH1A, ALDH3A1 RXRA 1183/4885RXRB 1134/4885NPC1 493/4885
US-20230174475-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS ADH1A, ALDH1A1, ALDH3A1 RXRA 1829/4885RXRB 1802/4885NPC1 1090/4885
US-20230174474-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS ALDH1A1, ADH1A, ALDH3A1 RXRA 1183/4885RXRB 1134/4885NPC1 493/4885

“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.