SCHEMBL281844

SCHEMBL281844

C=C(C)c1cc(C=O)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 9/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH5A1 P51649 2/20 0.37
ABAT P80404 2/20 0.37
HPGD P15428 2/20 0.37
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
TSHR P16473 1/20 0.36
ERN1 O75460 1/20 0.36
CYP2A6 P11509 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KIF11 P52732 1/20 0.34
PTGER4 P35408 1/20 0.33

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
SCHEMBL12269363 0.85 ALDH1A1 (0.41) KDM4EPTGS2RAB9AALDH1A1SMN1; SMN2
SCHEMBL29820469 0.85 ALDH1A1 (0.41) KDM4EPTGS2RAB9AALDH1A1SMN1; SMN2
SCHEMBL29956673 0.83 KDM4E (0.41) KDM4EPTGS2RAB9AALDH1A1SMN1; SMN2
SCHEMBL6928478 0.83 KDM4E (0.41) KDM4EPTGS2RAB9AALDH1A1SMN1; SMN2
SCHEMBL1715824 0.77 ALDH1A1 (0.47) KDM4EPTGS2RAB9AALDH1A1SMN1; SMN2
SCHEMBL26817462 0.76 ALDH1A1 (0.42) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL16579784 0.76 ALDH1A1 (0.41) KDM4EPTGS2RAB9AALDH1A1SMN1; SMN2
SCHEMBL12954647 0.76 DGAT1 (0.43) KDM4EPTGS2RAB9AALDH1A1SMN1; SMN2
SCHEMBL29820782 0.76 ALDH1A1 (0.42) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL2045743 0.75 ERN1 (0.46) KDM4EPTGS2RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
EP-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 EP disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 US disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 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 (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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 KDM4E 4102/4885PTGS2 3071/4885RAB9A 3397/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 KDM4E 4102/4885PTGS2 3071/4885RAB9A 3397/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB KDM4E 4477/4885PTGS2 2751/4885RAB9A 3208/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE KDM4E 4083/4885PTGS2 2910/4885RAB9A 3257/4885

“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.