SCHEMBL3471876

SCHEMBL3471876

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-c4cc(C(F)(F)F)nn4-c4ccccc4Cl)s3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.53
NR1H2 P55055 6/20 0.53
NR1H3 Q13133 6/20 0.53
RET P07949 7/20 0.45
MAPT P10636 1/20 0.43
PGK1 P00558 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ADK P55263 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
SCHEMBL27738017 0.88 RXRA (0.53) RXRANR1H2NR1H3
Tert-Butyl Formate SCHEMBL27738020 0.83 RXRA (0.52) RXRANR1H2NR1H3RET
SCHEMBL3475014 0.82 RXRA (0.56) RXRANR1H2NR1H3RET
SCHEMBL3471163 0.82 RXRA (0.56) RXRANR1H2NR1H3MAPT
SCHEMBL3471878 0.82 RXRA (0.51) RXRANR1H2NR1H3
SCHEMBL12979225 0.79 JAK2 (0.49) RXRANR1H2NR1H3MAPT
SCHEMBL3584004 0.78 RET (0.47) RETPGK1CKS1BSKP1SKP2
SCHEMBL3469858 0.77 MEN1 (0.53) RXRANR1H2NR1H3MAPTMEN1
SCHEMBL3472699 0.76 RXRA (0.66) RXRANR1H2NR1H3
SCHEMBL2256339 0.75 GPR119 (0.47) RETPGK1CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US claimed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.