SCHEMBL175168

SCHEMBL175168

CCCOc1ccc(I)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ LTA4H P09960 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ACACB O00763 2/20 0.42
▸ ACACA Q13085 2/20 0.42
▸ PDIA6 Q15084 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27929661 0.92 CYP3A4 (0.45) LTA4HCA12CA1CA2CA7
SCHEMBL21196882 0.87 NR5A1 (0.51) LTA4HPDIA6TSHR
SCHEMBL16952809 0.84 NQO1 (0.52) LTA4HCA12CA1CA7CA9
SCHEMBL469900 0.82 DRD2 (0.53) PTGS1PTGS2LTA4HCA12CA1
SCHEMBL26586911 0.81 PDIA6 (0.42) MAPTKMT2AMEN1PDIA6KDM4E
SCHEMBL256301 0.79 KDM4E (0.46) LTA4HCA12CA1CA2CA7
SCHEMBL12001039 0.79 MAPT (0.55) LTA4HCA12CA1CA2CA7
SCHEMBL28832127 0.78 PPARG (0.47) PTGS1PTGS2LTA4HCA12CA1
SCHEMBL174636 0.78 TUBB4A (0.49) LTA4HCA12CA1CA2CA7
SCHEMBL23473367 0.77 PTGS1 (0.45) PTGS1PTGS2LTA4HCA12CA1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934486-B2 Liquid crystal composition, liquid crystal mixture, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device NITTO DENKO CORPORATION (JP) 2021-03-02 — — US disclosed
US-20190233728-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL MIXTURE, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2019-08-01 — — US disclosed
WO-2018068023-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL MIXTURE, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2018-04-12 — — WO disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 — — EP disclosed
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 — — EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 — — WO disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 — — WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — 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 (2 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G PTGS1 356/4885PTGS2 421/4885LTA4H 159/4885
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G PTGS1 356/4885PTGS2 421/4885LTA4H 159/4885

“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.

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