SCHEMBL5628307

SCHEMBL5628307

O=Cc1cc(Cl)ccc1OCc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
ERN1 O75460 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALPG P10696 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TBXA2R P21731 2/20 0.40
PTGS1 P23219 2/20 0.40

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
SCHEMBL275398 0.93 RAB9A (0.48) PTGER1MRGPRX4MAPTALDH1A1MEN1
SCHEMBL6169074 0.92 ERN1 (0.54) PTGER1MRGPRX4ERN1MAPTCYP1A2
SCHEMBL5628445 0.85 MRGPRX4 (0.51) PTGER1MRGPRX4MAPTKDM4EALDH1A1
SCHEMBL14774805 0.81 PTGER1 (0.52) PTGER1MRGPRX4MAPTCYP1A2CYP2C9
SCHEMBL2284712 0.79 ENPP2 (0.54) MRGPRX4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5465784 0.78 SLC6A4 (0.52) PTGER1MRGPRX4MAPTKDM4EALDH1A1
SCHEMBL5627381 0.78 PTGER1 (0.55) PTGER1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1119150 0.78 JAK2 (0.57) PTGER1MRGPRX4MAPTKDM4EMEN1
SCHEMBL5627912 0.76 PTGER1 (0.48) PTGER1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2288692 0.75 SLC6A4 (0.53) MRGPRX4MAPTALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR PTGER1 1/4885MRGPRX4 77/4885ERN1 2939/4885

“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.