SCHEMBL29472437

SCHEMBL29472437

COc1cc(C(F)(F)F)ccc1C(C)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.60
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
HTR2A P28223 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KCNH2 Q12809 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL22279132 1.00 PDE2A (0.60) PDE2AAKR1C3AKR1C2HTR2ARAB9A
SCHEMBL13698776 0.86 PDE2A (0.46) PDE2AAKR1C3AKR1C2HTR2ARAB9A
SCHEMBL17763832 0.83 PDE2A (0.44) PDE2AAKR1C3AKR1C2HTR2ARAB9A
SCHEMBL18103190 0.83 PDE2A (0.44) PDE2AAKR1C3AKR1C2HTR2ARAB9A
SCHEMBL29472452 0.83 PDE2A (0.44) PDE2AAKR1C3AKR1C2HTR2ARAB9A
Hydrochloric Acid SCHEMBL31137630 0.79 HTR2A (0.50) PDE2AHTR2ARAB9AL3MBTL1KCNH2
Hydrochloric Acid SCHEMBL31136523 0.79 HTR2A (0.50) PDE2AHTR2ARAB9AL3MBTL1KCNH2
SCHEMBL18075239 0.78 PDE2A (0.68) PDE2AHTR2ALIPG
SCHEMBL30481795 0.78 PDE2A (0.68) PDE2AHTR2ALIPG
SCHEMBL19898274 0.77 PDE2A (0.66) PDE2AHTR2ALIPG

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-20220098159-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-03-31 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-20220098159-A1 CARBAMATE DERIVATIVES AND USES THEREOF CASP1, IL1B, PYCARD PDE2A 900/4885AKR1C3 463/4885AKR1C2 1212/4885

“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.