SCHEMBL25307114

SCHEMBL25307114

COc1ccc(/C=C/C=C/C=C/C(=O)N2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.60
MAOB P27338 2/20 0.60
PTGS2 P35354 2/20 0.60
GPR183 P32249 5/20 0.59
STAT3 P40763 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TRPV1 Q8NER1 2/20 0.55
CTSD P07339 1/20 0.55
ABCB1 P08183 1/20 0.55
GABRA1 P14867 1/20 0.55
MAOA P21397 1/20 0.55
MAPK1 P28482 1/20 0.55
GABRB2 P47870 1/20 0.55

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
SCHEMBL21957483 0.99 ALOX5 (0.61) ALOX5MAOBPTGS2GPR183STAT3
SCHEMBL6792237 0.93 GPR183 (0.64) ALOX5MAOBPTGS2GPR183STAT3
SCHEMBL3123638 0.89 GPR183 (0.72) PTGS2GPR183ALDH1A1KDM4ENPC1
SCHEMBL3123635 0.89 GPR183 (0.72) PTGS2GPR183ALDH1A1KDM4ENPC1
SCHEMBL21428143 0.86 GPR183 (0.62) PTGS2GPR183STAT3ALDH1A1NPC1
SCHEMBL21428073 0.85 GPR183 (0.61) GPR183STAT3ALDH1A1NPC1RAB9A
SCHEMBL21427990 0.85 GPR183 (0.61) MAOBGPR183STAT3ALDH1A1NPC1
SCHEMBL14441226 0.85 PTGS2 (0.62) PTGS2GPR183STAT3ALDH1A1KDM4E
SCHEMBL27183463 0.85 ALDH1A1 (0.60) ALOX5MAOBPTGS2ALDH1A1KDM4E
SCHEMBL16274579 0.85 ALOX5 (0.64) ALOX5MAOBPTGS2GPR183ALDH1A1

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
US-20240109855-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY (IL) 2024-04-04 US disclosed
EP-4277896-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B.G. Negev Technologies and Applications Ltd., at Ben-Gurion University (IL) 2023-11-22 EP disclosed
WO-2023131362-A1 PHENYLPROPANOID DERIVATIVES USTAV EXPERIMENTALNI BOTANIKY AV ČR, V. V. I. (CZ) 2023-07-13 WO disclosed
WO-2023131362-A1 PHENYLPROPANOID DERIVATIVES USTAV EXPERIMENTALNI BOTANIKY AV ČR, V. V. I. (CZ) 2023-07-13 WO disclosed
WO-2022153306-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2022-07-21 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-20240109855-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME FPR1, FPR2, IL1B ALOX5 30/4885MAOB 2471/4885PTGS2 102/4885

“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.