SCHEMBL20428003

SCHEMBL20428003

CCCCCCC(C)(CC)Cc1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
LOX P28300 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
CNR2 P34972 5/20 0.35
TLR8 Q9NR97 2/20 0.33
LNPEP Q9UIQ6 1/20 0.33
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20427981 0.84 CNR2 (0.38) CNR2LNPEPS1PR4S1PR1S1PR3
SCHEMBL20427997 0.84 CNR2 (0.34) CNR2CNR1
SCHEMBL20428001 0.81 LOXL2 (0.48) LOXLOXL2CNR2LNPEPS1PR4
SCHEMBL20428004 0.80 ALDH1A1 (0.46) S1PR4S1PR1S1PR3S1PR5KDM4E
SCHEMBL27902689 0.80 RECQL (0.52) RECQLLOXLOXL3LOXL2KDM4E
SCHEMBL27672336 0.80 RECQL (0.52) RECQLLOXLOXL3LOXL2KDM4E
SCHEMBL27878725 0.80 RECQL (0.52) RECQLLOXLOXL3LOXL2KDM4E
SCHEMBL20428034 0.80 HPGD (0.36) CNR2LNPEPS1PR4S1PR1S1PR3
SCHEMBL4074777 0.78 RECQL (0.53) RECQLLOXLOXL3LOXL2LNPEP
SCHEMBL20428014 0.77 KCNH2 (0.46) S1PR4S1PR1S1PR3S1PR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 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-10035790-B2 RORγ modulators RORB, RORA, RORC RECQL 665/4885LOX 2925/4885LOXL3 1700/4885

“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.