SCHEMBL5736385

SCHEMBL5736385

COC(=O)c1ccc(OC)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
AKR1C3 P42330 13/20 0.57
AKR1C2 P52895 13/20 0.57
ALDH1A1 P00352 1/20 0.53
POLB P06746 2/20 0.53
NR4A2 P43354 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL1956889 0.93 KDM4E (0.60) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4733055 0.91 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL382822 0.90 KDM4E (0.66) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8008956 0.89 POLB (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL383820 0.88 ALDH1A1 (0.66) KDM4ESMN1; SMN2AKR1C3AKR1C2ALDH1A1
SCHEMBL9173937 0.87 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2AKR1C3AKR1C2ALDH1A1
SCHEMBL8541373 0.87 POLB (0.57) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Benzene SCHEMBL29227606 0.86 ALDH1A1 (0.63) KDM4ECYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8008958 0.86 POLB (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11574967 0.86 POLB (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281726-A1 Piperidine derivatives for the treatment of chemokine or h1 mediated disease state ASTRAZENECA AB (SE) 2006-12-14 US disclosed
EP-1611124-A1 PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CHEMOKINE OR H1 MEDIATED DISEASE STATE AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004085423-A1 PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CHEMOKINE OR H1 MEDIATED DISEASE STATE ASTRAZENECA AB (SE) 2004-10-07 WO 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-20060281726-A1 Piperidine derivatives for the treatment of chemokine or h1 mediated disease state CCR3, CCR1, CCL11 KDM4E 2830/4885CYP1A2 2063/4885CYP2D6 3046/4885

“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.