SCHEMBL22845292

SCHEMBL22845292

CC(Cc1ccc(C(C)(C)C)c(F)c1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CNR1 P21554 7/20 0.34
SLC6A4 P31645 3/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
CHRNA4 P43681 1/20 0.33
CNR2 P34972 4/20 0.33
ADRB2 P07550 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
KCNH2 Q12809 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL19522474 0.79 ESR1 (0.41) ESR1ESR2CNR1KCNH2ALDH1A1
SCHEMBL18701030 0.78 GABRA1 (0.42) ESR1HTR2ALMNAMAPT
SCHEMBL19465897 0.78 ADRB2 (0.35) CNR1CNR2ADRB2LMNA
SCHEMBL18556488 0.73 ESR1 (0.39) ESR1ESR2HTR2ALMNA
SCHEMBL1690351 0.72 HDAC3 (0.42) SLC6A2SLC6A4HTR2AHTR2BKCNH2
SCHEMBL24600111 0.71 HTR2A (0.33) HTR2AHTR2B
SCHEMBL24174303 0.71 ESR1 (0.36) ESR1ESR2CNR1CNR2
SCHEMBL20674857 0.70 ESR1 (0.43) ESR1ESR2SLC6A2SLC6A3CNR1
SCHEMBL2844467 0.70 ESR1 (0.55) ESR1ESR2SLC6A2SLC6A3SLC6A4
SCHEMBL19625801 0.69 PDE2A (0.36) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (2 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-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL ESR1 4052/4885ESR2 4181/4885SLC6A2 1141/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL ESR1 4052/4885ESR2 4181/4885SLC6A2 1141/4885

“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.