SCHEMBL498741

SCHEMBL498741

C=CCc1c(-c2ccccc2)cc(C(C)C)n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.38
NR1H3 Q13133 3/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
ABCB1 P08183 1/20 0.34
HMGCR P04035 2/20 0.34

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
SCHEMBL498896 0.83 NR1H2 (0.49) NR1H2NR1H3MTNR1AMTNR1BABCB1
SCHEMBL10015878 0.82 NR1H2 (0.41) NR1H2NR1H3MTNR1AMTNR1B
SCHEMBL10047135 0.81 NR1H2 (0.31) NR1H2NR1H3
SCHEMBL10047133 0.73 NR1H2 (0.44) NR1H2NR1H3ABCB1
SCHEMBL498984 0.72 NR1H2 (0.43) NR1H2NR1H3ABCB1
SCHEMBL14260516 0.69 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL15875214 0.68 ABCB1 (0.44) NR1H2NR1H3PTGS2ABCB1
SCHEMBL10047137 0.68 NR1H2 (0.42) NR1H2NR1H3ABCB1
SCHEMBL499554 0.67 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL498751 0.67 NR1H2 (0.38) NR1H2NR1H3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106089-B2 Reacting pyrrolylalkylcarbinole, furanylalkylcarbinole or thiophenylalkylcarbinole units; cyclodehydration, hydroboration, oxidation, palladium-catalyzed Suzuki-Miyaura cross-coupling; anticarcinogenic agents, antitumor, and antiproliferative agents; autoimmune and neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE (FR) 2012-01-31 US disclosed
US-8106089-B2 Reacting pyrrolylalkylcarbinole, furanylalkylcarbinole or thiophenylalkylcarbinole units; cyclodehydration, hydroboration, oxidation, palladium-catalyzed Suzuki-Miyaura cross-coupling; anticarcinogenic agents, antitumor, and antiproliferative agents; autoimmune and neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE (FR) 2012-01-31 US disclosed
US-8106089-B2 Reacting pyrrolylalkylcarbinole, furanylalkylcarbinole or thiophenylalkylcarbinole units; cyclodehydration, hydroboration, oxidation, palladium-catalyzed Suzuki-Miyaura cross-coupling; anticarcinogenic agents, antitumor, and antiproliferative agents; autoimmune and neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE (FR) 2012-01-31 US disclosed
US-20080275103-A1 Anti-Tubulin Acting Arylpyrrol, Arylfuran And Arylthiophene Derivatives, Method For The Preparation Thereof And For The Use Thereof As An Antimitotic UNIVERSITE DE RENNES (FR) 2008-11-06 US disclosed
US-20080275103-A1 Anti-Tubulin Acting Arylpyrrol, Arylfuran And Arylthiophene Derivatives, Method For The Preparation Thereof And For The Use Thereof As An Antimitotic UNIVERSITE DE RENNES (FR) 2008-11-06 US disclosed
US-20080275103-A1 Anti-Tubulin Acting Arylpyrrol, Arylfuran And Arylthiophene Derivatives, Method For The Preparation Thereof And For The Use Thereof As An Antimitotic UNIVERSITE DE RENNES (FR) 2008-11-06 US disclosed
EP-1751100-B1 ANTI-TUBULIN ACTING ARYLPYRROL, ARYLFULRAN AND ARYLTHIOPENE DERIVATIVES, METHOD FOR THE PREPARATION AND USE THEREOF AS AN ANTIMITOTIC CENTRE NAT RECH SCIENT (FR) 2008-01-09 EP disclosed
EP-1751100-B1 ANTI-TUBULIN ACTING ARYLPYRROL, ARYLFULRAN AND ARYLTHIOPENE DERIVATIVES, METHOD FOR THE PREPARATION AND USE THEREOF AS AN ANTIMITOTIC CENTRE NAT RECH SCIENT (FR) 2008-01-09 EP disclosed
EP-1751100-A1 ANTI-TUBULIN ACTING ARYLPYRROL, ARYLFULRAN AND ARYLTHIOPENE DERIVATIVES, METHOD FOR THE PREPARATION AND USE THEREOF AS AN ANTIMITOTIC Centre National de la Recherche Scientifique (CNRS) (FR) 2007-02-14 EP disclosed
WO-2005115979-A1 ANTI-TUBULIN ACTING ARYLPYRROL, ARYLFULRAN AND ARYLTHIOPENE DERIVATIVES, METHOD FOR THE PREPARATION AND USE THEREOF AS AN ANTIMITOTIC CENTRE NATIONAL DE LA RECHERCHE SCIENTIQUE (CNRS) (FR) 2005-12-08 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 (1 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-20080275103-A1 Anti-Tubulin Acting Arylpyrrol, Arylfuran And Arylthiophene Derivatives, Method For The Preparation Thereof And For The Use Thereof As An Antimitotic TUBB1, TUBB3, TUBB NR1H2 1515/4885NR1H3 1403/4885MTNR1A 2198/4885

“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.