SCHEMBL2260690

SCHEMBL2260690

CCOc1ccc(C2CCCN2C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
F10 P00742 5/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SCD5 Q86SK9 4/20 0.39
CCNC P24863 4/20 0.38
CDK8 P49336 4/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
SCD O00767 1/20 0.37
CNR2 P34972 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
SCHEMBL3472115 0.88 RXRA (0.44) CNR1ALDH1A1KDM4ESCD5CCNC
SCHEMBL2259079 0.84 ROCK2 (0.46) F10ALDH1A1KDM4ESCD5HSD17B10
SCHEMBL2260753 0.83 CNR1 (0.43) CNR1
SCHEMBL2256210 0.81 HSP90AA1 (0.49) F10SCD5
SCHEMBL12361716 0.79 MEN1 (0.46) CNR1F10ALDH1A1KDM4EHSD17B10
SCHEMBL3471554 0.78 SCD5 (0.47) CNR1SCD5HSD17B10SCD
SCHEMBL2256415 0.78 PDK2 (0.46) CNR1F10ALDH1A1CNR2
SCHEMBL2260709 0.76 TSHR (0.54) ALDH1A1
SCHEMBL3474064 0.75 RXRA (0.48) CNR1CCNCCDK8
SCHEMBL3472851 0.75 RXRA (0.51) CNR1SCD5CCNCCDK8SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 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 (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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 CNR1 119/4885F10 143/4885ALDH1A1 3692/4885

“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.