SCHEMBL4158737

SCHEMBL4158737

O=C(c1ccc(O)cc1O)N1CCC(c2ccc(F)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
ATM Q13315 1/20 0.56
PDK1 Q15118 4/20 0.48
PDK2 Q15119 4/20 0.48
PDK3 Q15120 4/20 0.48
PDK4 Q16654 4/20 0.48
MAPT P10636 2/20 0.48
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 2/20 0.47
PROKR1 Q8TCW9 1/20 0.46
NAMPT P43490 1/20 0.45
GAA P10253 2/20 0.45
SPR P35270 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL4161521 0.92 PARP10 (0.49) RAB9ANPC1ATMPDK1PDK2
SCHEMBL4143175 0.87 HSP90AA1 (0.62) RAB9ANPC1ATMMAPTHSP90AA1
SCHEMBL4151908 0.80 HSD11B1 (0.55) RAB9ANPC1ATMMAPTHSP90AA1
SCHEMBL6208828 0.78 HSD11B1 (0.68) GAA
SCHEMBL2937126 0.75 RAB9A (0.67) RAB9ANPC1ATMMAPTPROKR1
SCHEMBL2937123 0.75 RAB9A (0.67) RAB9ANPC1ATMMAPTPROKR1
SCHEMBL30693168 0.74 RAB9A (0.61) RAB9ANPC1ATMMAPTPROKR1
SCHEMBL16600231 0.74 RAB9A (0.61) RAB9ANPC1ATMMAPTPROKR1
SCHEMBL4155107 0.74 HSP90AA1 (0.50) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4159603 0.73 HSP90AA1 (0.63) RAB9ANPC1PDK1PDK2PDK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US claimed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P RAB9A 588/4885NPC1 521/4885ATM 3686/4885

“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.