SCHEMBL21153502

SCHEMBL21153502

CC(C)CCc1ccc(N(C)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 4/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A4 P31645 1/20 0.32
CALM1 P0DP23 2/20 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
SCHEMBL13886433 0.80 ALDH1A1 (0.54) HRH3ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL22388178 0.77 KDM4E (0.39) HRH3KDM4EALDH1A1CYP3A4TSHR
SCHEMBL22030471 0.77 HRH3 (0.38) HRH3ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8080450 0.77 HTT (0.41) KDM4ETSHRAOC3
SCHEMBL27056901 0.76 KDM4E (0.47) HRH3KDM4EALDH1A1CYP3A4TSHR
SCHEMBL12951070 0.75 HRH3 (0.34) HRH3
SCHEMBL126012 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL18364998 0.74 ALDH1A1 (0.39) HRH3ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL582268 0.73 KCNH2 (0.42) TSHRAOC3KCNH2LMNA
SCHEMBL22139579 0.72 ESR1 (0.50) HRH3ALDH1A1CYP3A4TSHRMAPK1

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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2019-07-11 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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 HRH3 2998/4885KDM4E 4292/4885ALDH1A1 3861/4885

“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.