SCHEMBL20183707

SCHEMBL20183707

COc1cccc(NCc2ccc(-c3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.65
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MITF O75030 1/20 0.56
TRPV1 Q8NER1 1/20 0.54
FFAR1 O14842 2/20 0.54
POLB P06746 1/20 0.53
MMP13 P45452 1/20 0.52

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
SCHEMBL20183490 0.89 PPARA (0.66) PPARANPC1RAB9AMEN1KMT2A
SCHEMBL2309613 0.85 PPARA (0.86) PPARANPC1RAB9AMITFFFAR1
SCHEMBL20183499 0.85 EPHX2 (0.62) PPARAMEN1KMT2AFFAR1
SCHEMBL20183881 0.84 CA1 (0.57) PPARANPC1RAB9AMEN1KMT2A
SCHEMBL20183500 0.81 KMT2A (0.57) PPARANPC1RAB9AMEN1KMT2A
SCHEMBL3296820 0.81 PPARA (0.52) PPARA
SCHEMBL10055018 0.80 NOS1 (0.63) PPARANPC1RAB9AMEN1KMT2A
SCHEMBL17158376 0.80 HIF1A (0.64) RAB9AMEN1KMT2AFFAR1
SCHEMBL31227759 0.80 PPARA (0.73) PPARAFFAR1
SCHEMBL15761747 0.80 CA1 (0.61) PPARANPC1RAB9AMEN1KMT2A

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-3327001-B1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT UNIV DONGGUK IND ACAD COOP (KR) 2022-04-13 EP disclosed
US-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-08-02 US disclosed
EP-3327001-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT Dongguk University Industry-Academic Cooperation Foundation (KR) 2018-05-30 EP 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-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R PPARA 3442/4885NPC1 1886/4885RAB9A 3198/4885

“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.