SCHEMBL20428043

SCHEMBL20428043

CC(C)C(C)C1(c2ccccc2F)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.42
SLC6A4 P31645 7/20 0.41
SLC6A3 Q01959 7/20 0.41
SLC6A2 P23975 5/20 0.41
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HSD11B1 P28845 1/20 0.34
HSD11B2 P80365 1/20 0.34
ESR1 P03372 1/20 0.33
PDE7A Q13946 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL13755347 0.85 HDAC4 (0.45) HDAC4SLC6A4SLC6A3SLC6A2PSEN1
SCHEMBL21937614 0.77 HDAC4 (0.40) HDAC4SLC6A4SLC6A3SLC6A2PSEN1
SCHEMBL872816 0.72 CYP3A4 (0.51) HDAC4SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL7570645 0.71 HDAC4 (0.43) HDAC4SLC6A4SLC6A3SLC6A2PSEN1
SCHEMBL12203839 0.71 HDAC4 (0.49) HDAC4SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL7564524 0.70 PSEN1 (0.43) HDAC4SLC6A4SLC6A3SLC6A2PSEN1
SCHEMBL8766211 0.69 HSD11B1 (0.53) HDAC4SLC6A4SLC6A3PSEN1PSEN2
Hydrochloric Acid SCHEMBL2142 0.68 SLC6A3 (0.36) HDAC4SLC6A4SLC6A3SLC6A2PSEN1
SCHEMBL15042455 0.68 HDAC4 (0.40) HDAC4SLC6A4SLC6A3SLC6A2PSEN1
SCHEMBL15042437 0.68 ESR1 (0.41) HDAC4SLC6A4SLC6A3SLC6A2PSEN1

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 HDAC4 875/4885SLC6A4 4653/4885SLC6A3 4468/4885

“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.