SCHEMBL4444002

SCHEMBL4444002

COC(OC)C(O)C1=CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 2/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.31
TSHR P16473 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
SCHEMBL5178286 0.79 ALDH1A1 (0.47) ALDH1A1CYP1A2HIF1ATP53MAPT
SCHEMBL11759184 0.71 ALDH1A1 (0.47) ALDH1A1CYP1A2HIF1ATP53MAPT
SCHEMBL1044726 0.71
SCHEMBL4120017 0.68 HIF1A (0.53) ALDH1A1CYP1A2HIF1ATP53MAPT
SCHEMBL5179051 0.68 TP53 (0.54) ALDH1A1CYP1A2HIF1ATP53MAPT
SCHEMBL4451164 0.67 ALOX15 (0.52) ALDH1A1CYP1A2HIF1ATP53MAPT
SCHEMBL5177864 0.67 TP53 (0.45) ALDH1A1CYP1A2HIF1ATP53MAPT
SCHEMBL4442531 0.66 TP53 (0.55) ALDH1A1CYP1A2HIF1ATP53MAPT
SCHEMBL5179413 0.64 TP53 (0.58) ALDH1A1CYP1A2HIF1ATP53ALOX15
SCHEMBL5178494 0.63 TP53 (0.56) ALDH1A1CYP1A2HIF1ATP53ALOX15

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-7501539-B2 Process for the preparation of alkylidenecyclopentanone derivatives FIRMENICH SA (CH) 2009-03-10 US disclosed
US-20050187299-A1 Process for the preparation of alkylidenecyclopentanone derivatives FIRMENICH S.A. (CH) 2005-08-25 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-20050187299-A1 Process for the preparation of alkylidenecyclopentanone derivatives CYP1B1, AKR1C3, CYP1A1 ALDH1A1 99/4885CYP1A2 13/4885HIF1A 1814/4885

“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.