SCHEMBL20183883

SCHEMBL20183883

O=C(c1ccc(C#CCO)cc1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
PHGDH O43175 1/20 0.56
ACACB O00763 1/20 0.55
AKR1C3 P42330 1/20 0.51
GRM5 P41594 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.49
MLYCD O95822 1/20 0.49
POLB P06746 1/20 0.49
DNMT1 P26358 1/20 0.49
PTPN7 P35236 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL20183914 0.85 HPGD (0.62) HPGDSMN1; SMN2ACACBGRM5ALDH1A1
SCHEMBL7338701 0.83 PHGDH (0.65) HPGDSMN1; SMN2PHGDHAKR1C3ALDH1A1
SCHEMBL3644126 0.82 GRM5 (0.71) HPGDSMN1; SMN2PHGDHACACBAKR1C3
SCHEMBL166200 0.81 PHGDH (0.63) HPGDSMN1; SMN2PHGDHAKR1C3ALDH1A1
SCHEMBL7671412 0.81 HPGD (0.47) HPGDACACBALDH1A1MAPTKDM4E
SCHEMBL28615017 0.81 HPGD (0.52) HPGDSMN1; SMN2PHGDHACACBAKR1C3
SCHEMBL21360559 0.81 HPGD (0.60) HPGDSMN1; SMN2PHGDHACACBAKR1C3
SCHEMBL3644132 0.81 EPHX2 (0.66) HPGDSMN1; SMN2PHGDHACACBAKR1C3
SCHEMBL10720943 0.80 PHGDH (0.81) HPGDSMN1; SMN2PHGDHAKR1C3ALDH1A1
SCHEMBL5048054 0.79 HPGD (0.59) HPGDSMN1; SMN2PHGDHACACBAKR1C3

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 1789/4885SMN1; SMN2 3907/4885PHGDH 3783/4885
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 1773/4885SMN1; SMN2 3790/4885PHGDH 3722/4885
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 1773/4885SMN1; SMN2 3790/4885PHGDH 3722/4885
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 1789/4885SMN1; SMN2 3907/4885PHGDH 3783/4885

“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.