SCHEMBL20428004

SCHEMBL20428004

CCCCCCC(C)(CC)Cc1ccc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
FAAH O00519 1/20 0.42
KDM4E B2RXH2 3/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34

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
SCHEMBL20181972 0.85 ALDH1A1 (0.48) ALDH1A1FAAHKDM4EMAPTGAA
SCHEMBL20427983 0.81 DAO (0.37) ALDH1A1FAAHKDM4EMAPTGAA
SCHEMBL20428014 0.80 KCNH2 (0.46) ALDH1A1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL20428003 0.80 RECQL (0.42) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL21469023 0.78 MAPT (0.54) ALDH1A1FAAHKDM4EMAPTGAA
SCHEMBL9850747 0.78 MAPT (0.54) ALDH1A1FAAHKDM4EMAPTGAA
SCHEMBL20427997 0.78 CNR2 (0.34)
SCHEMBL594105 0.76 RAB9A (0.51) ALDH1A1FAAHKDM4EMAPTGAA
SCHEMBL20366346 0.75 TDP1 (0.59) FAAHL3MBTL1
SCHEMBL9319296 0.74 MAPT (0.54) ALDH1A1FAAHKDM4EMAPTGAA

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 ALDH1A1 1669/4885FAAH 3187/4885KDM4E 2426/4885

“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.