SCHEMBL27439645

SCHEMBL27439645

CC(C)c1ccc(OC(F)(F)F)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
PTGS1 P23219 1/20 0.48
CACNA1C Q13936 1/20 0.48
PDE2A O00408 1/20 0.45
TYR P14679 3/20 0.43
ALDH1A1 P00352 4/20 0.43
ALOX12 P18054 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
APP P05067 1/20 0.41
RNASEH1 O60930 1/20 0.41
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 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
SCHEMBL13523271 0.83 PDE2A (0.45) TRPA1PTGS1CACNA1CPDE2AALDH1A1
SCHEMBL12015792 0.80 PDE2A (0.43) TRPA1PTGS1CACNA1CPDE2AALDH1A1
SCHEMBL13523269 0.80 PDE2A (0.43) PDE2AALDH1A1PDK2KCNK3KCNK9
SCHEMBL2662343 0.80 PDE2A (0.62) PDE2A
SCHEMBL14654021 0.80 PDE2A (0.46) TRPA1PTGS1CACNA1CPDE2AALDH1A1
SCHEMBL532407 0.79 PDE2A (0.43) TRPA1PTGS1CACNA1CPDE2ATYR
SCHEMBL24684102 0.79 ALDH1A1 (0.47) PDE2AALDH1A1ALOX12HTTGAA
SCHEMBL13395423 0.79 PDE2A (0.45) TRPA1PTGS1CACNA1CPDE2AALDH1A1
SCHEMBL8390686 0.79 PDE2A (0.42) PDE2AALDH1A1GAATP53MAPT
SCHEMBL31063368 0.79 PDE2A (0.42) TRPA1PTGS1CACNA1CPDE2AALDH1A1

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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A TRPA1 3610/4885PTGS1 2569/4885CACNA1C 1834/4885

“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.