SCHEMBL27405271

SCHEMBL27405271

CC(C)c1cc(F)cc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PTPN5 P54829 3/20 0.40
TAAR1 Q96RJ0 1/20 0.38
METAP2 P50579 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FABP2 P12104 1/20 0.37
TSHR P16473 1/20 0.37
AKR1C4 P17516 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL24726644 0.86 TAAR1 (0.50) RXRARXRBRXRGPTPN5TAAR1
SCHEMBL5352792 0.85 RXRA (0.48) RXRARXRBRXRGPTPN5TAAR1
Ammonia Solution, Strong SCHEMBL27170336 0.83 RXRA (0.47) RXRARXRBRXRGPTPN5TAAR1
SCHEMBL599020 0.80 RXRA (0.52) RXRARXRBRXRGPTPN5TAAR1
SCHEMBL20757465 0.80 TAAR1 (0.52) RXRARXRBRXRGPTPN5TAAR1
SCHEMBL24910413 0.80 RXRA (0.50) RXRARXRBRXRGPTPN5TAAR1
SCHEMBL24726636 0.79 CTSA (0.51) MEN1AKR1C3AKR1C2CYP1A2
SCHEMBL24721027 0.78 AKR1C2 (0.41) RXRARXRBRXRGPTPN5MEN1
SCHEMBL12945561 0.78 LMNA (0.40) LMNAMET
SCHEMBL24726641 0.78 NOTUM (0.38) RXRARXRBRXRGPTPN5TAAR1

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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV RXRA 949/4885RXRB 766/4885RXRG 763/4885

“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.