SCHEMBL22007144

SCHEMBL22007144

CCc1ccc2c(c1)OC(CC(C)c1ccc3c(c1)CCCO3)CC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
KCNH2 Q12809 3/20 0.36
KDM4E B2RXH2 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
RORC P51449 1/20 0.33
CYP2D6 P10635 1/20 0.33
ACHE P22303 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
SCHEMBL19977257 0.89 HTR2A (0.35) HTR2AHTR2CHTR2BCYP2D6
SCHEMBL22482269 0.73 CTNNB1 (0.42) HTR2AHTR2CHTR2B
SCHEMBL2633503 0.73 CTNNB1 (0.42) HTR2AHTR2CHTR2B
SCHEMBL10157959 0.73 KCNH2 (0.49) KCNH2
SCHEMBL5023473 0.73 CTNNB1 (0.46) KDM4E
SCHEMBL31061889 0.73 KCNH2 (0.49) KCNH2
SCHEMBL21019952 0.71 KDM4E (0.35) KCNH2KDM4EHTR2AHTR2CHTR2B
SCHEMBL13262203 0.70 KDM4E (0.43) KDM4EACHE
SCHEMBL20403046 0.70 ESR1 (0.30)
SCHEMBL2629597 0.68 HDAC3 (0.45) HTR2AHTR2CHTR2B

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-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 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-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR HTR1A 4609/4885HTR1D 4268/4885KCNH2 3557/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR HTR1A 4609/4885HTR1D 4268/4885KCNH2 3557/4885

“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.