SCHEMBL4977019

SCHEMBL4977019

Cc1ccc(O)c(-c2cccc(C#N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.47
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
CLK4 Q9HAZ1 1/20 0.44
ADRA2C P18825 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F11 P03951 1/20 0.41
PIN1 Q13526 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL25871799 0.85 CLK4 (0.47) CNR2CNR1CLK4ADRA2CKDM4E
SCHEMBL25290440 0.81 CNR2 (0.50) CNR2CNR1KDM4ETP53MAPT
SCHEMBL2111898 0.81 PTGDR2 (0.56) PIM1XDHSLC22A12CNR2CNR1
SCHEMBL6572418 0.81 ADRA2C (0.50) XDHSLC22A12CNR2CNR1CLK4
SCHEMBL14850862 0.80 CLK4 (0.46) CNR2CNR1CLK4ADRA2CKDM4E
SCHEMBL9469214 0.80 ADRA2C (0.55) PIM1XDHSLC22A12CNR2CNR1
Hydrochloric Acid SCHEMBL6781702 0.79 ADRA2C (0.49) XDHSLC22A12CNR2CNR1CLK4
SCHEMBL18618148 0.78 XDH (0.44) XDHSLC22A12CNR2CNR1CLK4
SCHEMBL29588586 0.78 XDH (0.44) XDHSLC22A12CNR2CNR1CLK4
SCHEMBL4974725 0.78 AR (0.52) CLK4CYP1A2CYP3A4CYP2D6CYP2C19

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
EP-1636175-B1 PHENOXYACETIC ACID DERIVATIVES FOR TREATING RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-20060211765-A1 Novel compounds ASTRAZENECA AB (SE) 2006-09-21 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-20060211765-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PIM1 3276/4885XDH 1557/4885SLC22A12 917/4885

“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.