SCHEMBL18409336

SCHEMBL18409336

FC(F)(F)c1cccc(-c2nc(CCc3c[nH]c4ccccc34)oc2-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
RXRG P48443 2/20 0.56
CCKBR P32239 1/20 0.48
GOT1 P17174 2/20 0.48
TDO2 P48775 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
SSTR1 P30872 2/20 0.42
SSTR4 P31391 2/20 0.42
SSTR3 P32745 2/20 0.42
FAAH O00519 1/20 0.42
CDK2 P24941 1/20 0.41
TACR1 P25103 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 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
SCHEMBL18409723 0.94 RXRA (0.54) RXRARXRBRXRGCCKBRGOT1
SCHEMBL18409333 0.91 RXRA (0.52) RXRARXRBRXRGCCKBRGOT1
SCHEMBL18409686 0.86 TRPV1 (0.47) RXRARXRBRXRGCCKBRGOT1
SCHEMBL18409641 0.86 CDK4 (0.47) RXRARXRBRXRGMEN1KMT2A
SCHEMBL18409685 0.84 PTPN1 (0.46) RXRARXRBRXRGDRD2LMNA
SCHEMBL18409331 0.82 PDE10A (0.54) RXRARXRBRXRGTRPV1DRD2
SCHEMBL22692981 0.82 NR4A2 (0.46) RXRARXRBRXRGDRD2DRD3
SCHEMBL18409340 0.82 RXRA (0.56) RXRARXRBMEN1KMT2ALMNA
SCHEMBL18409721 0.80 TRPV1 (0.46) RXRARXRBRXRGCCKBRGOT1
SCHEMBL18409637 0.80 CDK4 (0.46) RXRARXRBRXRGMEN1KMT2A

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-10844051-B2 Substituted oxazoles for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY 2020-11-24 US disclosed
US-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-07-26 US disclosed
WO-2017011920-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-01-26 WO 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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 RXRA 172/4885RXRB 232/4885RXRG 144/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 RXRA 1247/4885RXRB 1153/4885RXRG 1093/4885

“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.