SCHEMBL498978

SCHEMBL498978

CC(C)c1cc(-c2ccccc2)c(CCCO)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
HSP90AA1 P07900 1/20 0.34
TSHR P16473 1/20 0.34
ESR2 Q92731 1/20 0.33
ALOX5 P09917 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
GCGR P47871 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14302203 0.84 ADORA3 (0.40) BACE1ADORA3ADORA2AADORA2BADORA1
SCHEMBL498744 0.83 GCGR (0.38) KDM4EPOLBTSHRGCGRALDH1A1
SCHEMBL10015874 0.74 RAD52 (0.32)
SCHEMBL499037 0.65 HIF1A (0.36) KDM4EPOLB
SCHEMBL2914750 0.65 TNKS2 (0.51) BACE1ESR2ALOX5ALDH1A1
SCHEMBL11978812 0.65 GCGR (0.54) GCGR
SCHEMBL2916168 0.62 TNKS2 (0.49) BACE1ADORA2AADORA1ESR2
SCHEMBL15811744 0.62 HTT (0.49) KDM4ETSHR
SCHEMBL2914384 0.62 BACE1 (0.70) BACE1KDM4EALOX5ALDH1A1
SCHEMBL1535892 0.62 DPP4 (0.54) POLBALDH1A1

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 8 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

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 BACE1 2543/4885KDM4E 4004/4885POLB 485/4885

“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.