SCHEMBL3474768

SCHEMBL3474768

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCCC1CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.51
MET P08581 8/20 0.51
HRH3 Q9Y5N1 3/20 0.48
CSF1R P07333 2/20 0.47
RXRA P19793 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
IKBKB O14920 2/20 0.46

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
SCHEMBL3472117 0.99 ALK (0.51) ALKMETHRH3CSF1RRXRA
SCHEMBL3473698 0.91 RXRA (0.49) ALKMETRXRANR1H2NR1H3
SCHEMBL3473375 0.88 RXRA (0.47) ALKMETRXRANR1H2NR1H3
SCHEMBL3473893 0.88 RXRA (0.49) ALKMETRXRANR1H2NR1H3
SCHEMBL3472116 0.88 RXRA (0.48) ALKMETRXRANR1H2NR1H3
SCHEMBL3478025 0.88 RXRA (0.48) ALKMETHRH3CSF1RRXRA
SCHEMBL3473931 0.86 RXRA (0.45) ALKMETRXRANR1H2NR1H3
SCHEMBL3473694 0.85 RXRA (0.46) ALKMETRXRANR1H2NR1H3
SCHEMBL3474693 0.85 RXRA (0.46) ALKRXRANR1H2NR1H3
SCHEMBL3472172 0.85 RXRA (0.46) ALKRXRANR1H2NR1H3

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-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

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 ALK 3231/4885MET 1245/4885HRH3 1033/4885

“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.