SCHEMBL20428014

SCHEMBL20428014

CCCCCCC(C)(CC)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
CHRNA4 P43681 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 1/20 0.37
TNNC1 P63316 5/20 0.37
SGPL1 O95470 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
GPR183 P32249 1/20 0.37
CERS2 Q96G23 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
CTSK P43235 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL27980901 0.83 ESR1 (0.58) SLC6A2SLC6A4SLC6A3SMN1; SMN2TNNC1
SCHEMBL20428022 0.83 SCN5A (0.46)
SCHEMBL27980731 0.81 ESR1 (0.55) SLC6A2SLC6A4SLC6A3SMN1; SMN2KDM4E
SCHEMBL20428004 0.80 ALDH1A1 (0.46) SMN1; SMN2S1PR4S1PR1S1PR3S1PR5
SCHEMBL20427997 0.78 CNR2 (0.34) KCNH2
SCHEMBL20428003 0.77 RECQL (0.42) SMN1; SMN2S1PR4S1PR1S1PR3S1PR5
SCHEMBL22856972 0.76 LMNA (0.47) SLC6A2SLC6A4SLC6A3HTR2ASMN1; SMN2
SCHEMBL11147321 0.75 SLC6A2 (0.45) KCNH2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL25825947 0.75 LMNA (0.46) SLC6A2SLC6A4SLC6A3HTR2ASMN1; SMN2
SCHEMBL811576 0.74 KCNH2 (0.73) KCNH2SLC6A2SLC6A4SLC6A3HTR2A

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 KCNH2 1711/4885SLC6A2 4710/4885SLC6A4 4653/4885

“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.