SCHEMBL3409441

SCHEMBL3409441

O=C(O)/C=C/c1ccc(I)cc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.67
PTGER2 P43116 8/20 0.67
PTGER3 P43115 8/20 0.67
PTGER1 P34995 4/20 0.67
HDAC8 Q9BY41 1/20 0.55
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
PTGDR Q13258 1/20 0.49
AKR1C3 P42330 1/20 0.48
BACE1 P56817 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47

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
SCHEMBL3409444 1.00 PTGER4 (0.67) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL1270178 0.87 HDAC8 (0.63) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL4970083 0.87 HDAC8 (0.63) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL3207282 0.86 PTGER4 (0.70) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL3207292 0.86 PTGER4 (0.70) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL7191225 0.85 PTGER3 (0.68) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL7909151 0.85 PTGER3 (0.68) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL8323200 0.83 PTGER4 (0.94) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL8323198 0.83 PTGER4 (0.94) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL6035015 0.82 HDAC8 (0.80) PTGER4PTGER2PTGER3PTGER1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155662-B1 NOVEL DERIVATIVES OF 3-PHENYL PROPANOIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-12-01 EP disclosed
US-20100158843-A1 NOVEL 3-PHENYLPROPANOIC COMPOUND ACTIVATORS OF RECEPTORS OF PPAR TYPE AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-24 US disclosed
EP-2155662-A2 NOVEL DERIVATIVES OF 3-PHENYL PROPANOIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2010-02-24 EP disclosed
WO-2008152333-A9 NOVEL DERIVATIVES OF 3-PHENYL PROPANOIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-10 WO disclosed
WO-2008152333-A2 NOVEL DERIVATIVES OF 3-PHENYL PROPANOIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 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-20100158843-A1 NOVEL 3-PHENYLPROPANOIC COMPOUND ACTIVATORS OF RECEPTORS OF PPAR TYPE AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD PTGER4 299/4885PTGER2 221/4885PTGER3 94/4885

“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.