SCHEMBL16675318

SCHEMBL16675318

CC1(C)[C@H](Cc2ccccc2)C[C@@H]1C(=O)OC(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.40
ATM Q13315 2/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACLY P53396 1/20 0.33
ADRA2A P08913 1/20 0.32
CNR1 P21554 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 3/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL18365233 1.00 SPR (0.40) SPRATMLMNAMAPTHTT
SCHEMBL15352349 0.83 SLC6A3 (0.41) ATMLMNAADRA2ACNR1TDP1
SCHEMBL18375984 0.83 SLC6A3 (0.41) ATMLMNAADRA2ACNR1TDP1
SCHEMBL12914999 0.76 KMT2A (0.37) SPRLMNAMAPTKMT2A
SCHEMBL16675316 0.76 KMT2A (0.37) SPRLMNAMAPTKMT2A
SCHEMBL12914976 0.75 KMT2A (0.36) SPRLMNAMAPTKMT2A
SCHEMBL961100 0.73 KMT2A (0.35) SPRLMNAMAPTKMT2A
SCHEMBL15362627 0.72 ESR1 (0.40) LMNAMAPTNPSR1CNR1TDP1
SCHEMBL16864100 0.72 ESR1 (0.40) LMNAMAPTNPSR1CNR1TDP1
SCHEMBL432793 0.65 LMNA (0.45) SPRLMNAMAPTHTTNPSR1

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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB SPR 1717/4885ATM 3766/4885LMNA 3477/4885

“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.