SCHEMBL12045772

SCHEMBL12045772

CSc1ccc(C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.45
GPR119 Q8TDV5 1/20 0.42
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
SLC6A4 P31645 3/20 0.39
MAPT P10636 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL13906346 0.91 ESR2 (0.59) ESR2GPR119ALDH1A1POLBSLC6A4
SCHEMBL20840966 0.89 ESR2 (0.59) ESR2GPR119SLC6A4MAPTSLC6A2
SCHEMBL8483087 0.89 ALDH1A1 (0.46) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL13906347 0.86 ESR2 (0.42) ESR2GPR119ALDH1A1SLC6A4MAPT
SCHEMBL13906351 0.86 ESR2 (0.42) ESR2GPR119ALDH1A1SLC6A4MAPT
SCHEMBL5584921 0.85 SLC18A3 (0.55) SLC6A4SLC6A2
SCHEMBL8317126 0.85 NISCH (0.37) ESR2GPR119ALDH1A1SLC6A4MAPT
Hydrochloric Acid SCHEMBL4505629 0.83 SLC18A3 (0.53) SLC6A4SLC6A2MEN1KMT2A
SCHEMBL20884549 0.83 QDPR (0.51) GPR119ALDH1A1SLC6A4MAPTSLC6A2
SCHEMBL14599819 0.83 GPR119 (0.38) ESR2GPR119ALDH1A1SLC6A4MAPT

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
EP-3831836-B1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2023-09-06 EP disclosed
US-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 820/4885GPR119 579/4885ALDH1A1 1892/4885

“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.