SCHEMBL238499

SCHEMBL238499

O=C(O)c1ccccc1-c1ccccc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.47
MRGPRX1 Q96LB2 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
PTK2B Q14289 1/20 0.44
FAAH O00519 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
RIPK1 Q13546 1/20 0.43
PDE5A O76074 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
RBP4 P02753 1/20 0.43
TTR P02766 1/20 0.43
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL933677 0.87 ALDH1A1 (0.57) MRGPRX1ALDH1A1KMT2APTK2BFAAH
SCHEMBL29055574 0.81 FAAH (0.57) ALDH1A1KMT2APTK2BFAAHCNR1
SCHEMBL3064765 0.81 FAAH (0.54) MRGPRX1ALDH1A1KMT2APTK2BFAAH
SCHEMBL1388095 0.80 FAAH (0.60) ALDH1A1KMT2APTK2BFAAHCNR1
SCHEMBL11711842 0.80 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL27854331 0.79 FAAH (0.51) MRGPRX1ALDH1A1KMT2APTK2BFAAH
SCHEMBL29788194 0.79 TP53 (0.53) KMT2ARIPK1PDE5APDE4APDE4B
SCHEMBL13370771 0.79 TP53 (0.53) KMT2ARIPK1PDE5APDE4APDE4B
SCHEMBL20476485 0.78 ALDH1A1 (0.50) PTGER1MRGPRX1ALDH1A1KMT2APTK2B
SCHEMBL16759161 0.78 ALDH1A1 (0.50) MRGPRX1ALDH1A1KMT2APTK2BFAAH

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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R PTGER1 11/4885MRGPRX1 938/4885LTB4R2 2/4885

“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.