SCHEMBL20183914

SCHEMBL20183914

O=C(c1ccc(C#CCO)cc1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.62
ALDH1A1 P00352 4/20 0.62
ACACB O00763 3/20 0.53
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
GRM5 P41594 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL20183883 0.85 HPGD (0.59) HPGDALDH1A1ACACBKDM4EL3MBTL1
SCHEMBL31497569 0.81 HPGD (0.67) HPGDALDH1A1ACACBKDM4EL3MBTL1
SCHEMBL29614929 0.80 HPGD (0.71) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL6553708 0.80 HPGD (0.70) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL16151536 0.79 HPGD (0.65) HPGDALDH1A1ACACBKDM4EL3MBTL1
SCHEMBL27479149 0.79 HPGD (1.00) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7132525 0.79 HPGD (1.00) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5885873 0.79 ACACB (0.57) HPGDALDH1A1ACACBKDM4EL3MBTL1
SCHEMBL20183890 0.78 HPGD (0.51) HPGDALDH1A1ACACBKDM4EL3MBTL1
SCHEMBL20183925 0.78 KMT2A (0.58) ALDH1A1MEN1KMT2AMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766857-B2 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) 2020-09-08 US disclosed
EP-3327000-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) 2020-09-02 EP disclosed
US-20190071395-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) 2019-03-07 US disclosed
US-10179764-B2 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) 2019-01-15 US disclosed
US-20180201573-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) 2018-07-19 US disclosed
EP-3327000-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 (4 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-20180201573-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R HPGD 1789/4885ALDH1A1 3365/4885ACACB 2237/4885
US-10766857-B2 Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient LTB4R2, CYSLTR2, LTB4R HPGD 1773/4885ALDH1A1 3336/4885ACACB 2234/4885
US-10179764-B2 Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient LTB4R2, CYSLTR2, LTB4R HPGD 1773/4885ALDH1A1 3336/4885ACACB 2234/4885
US-20190071395-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R HPGD 1789/4885ALDH1A1 3365/4885ACACB 2237/4885

“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.