SCHEMBL4633004

SCHEMBL4633004

CC1(C)CC1(C)C.O=C(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APLNR P35414 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL10596770 0.93 FFAR3 (0.40) FFAR3PKMTSHRALDH1A1GAA
Bicarbonate SCHEMBL2943876 0.83 FFAR3 (0.44) FFAR3PKMTSHRALDH1A1SMN1; SMN2
SCHEMBL453523 0.76
SCHEMBL16240342 0.75
SCHEMBL3682009 0.74 FFAR3 (0.38) FFAR3PKMTSHRALDH1A1GAA
Bicarbonate SCHEMBL10607931 0.74 FFAR3 (0.38) FFAR3PKMALDH1A1GAAHPGD
SCHEMBL11451712 0.73 FFAR3 (0.32) FFAR3GAA
SCHEMBL32681964 0.72 FFAR3 (0.43) FFAR3PKMSMN1; SMN2NPSR1APLNR
SCHEMBL1136246 0.72
SCHEMBL27369419 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
EP-1603891-B1 NEW AMIDE DERIVATIVES OF 2,2,3,3-TETRAMETHYLCYCLOPROPANE CARBOXYLIC ACID YISSUM RES DEV CO (IL) 2008-05-28 EP disclosed
US-7232929-B2 Amide derivatives of 2,2,3,3-tetramethylcyclopropane carboxylic acid YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-06-19 US disclosed
US-20060148861-A1 Amide derivatives of 2,2,3,3-tetramethylcyclopropane carboxylic acid YISSUM RESEARCH DEVELOPEMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-07-06 US disclosed
EP-1603891-A1 NEW AMIDE DERIVATIVES OF 2,2,3,3-TETRAMETHYLCYCLOPROPANE CARBOXYLIC ACID YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-12-14 EP disclosed
WO-2004076432-A1 NEW AMIDE DERIVATIVES OF 2,2,3,3-TETRAMETHYLCYCLOPROPANE CARBOXYLIC ACID YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-09-10 WO disclosed
US-4694013-A Insecticidal and acaricidal phenoxypyrdinyl esters and intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-15 US disclosed
EP-0223521-A2 Insecticidal and acaricidal phenoxypyridinyl esters and intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 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 (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-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB FFAR3 3863/4885PKM 1496/4885TSHR 1730/4885
US-20060148861-A1 Amide derivatives of 2,2,3,3-tetramethylcyclopropane carboxylic acid CNR2, GRIN2A, GRIN2C FFAR3 386/4885PKM 1134/4885TSHR 3051/4885

“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.