SCHEMBL10047206

SCHEMBL10047206

CCC(O)c1occc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.37
KCNQ2 O43526 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP7 Q93009 2/20 0.33
GCGR P47871 1/20 0.33
TRPA1 O75762 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALOX5 P09917 1/20 0.32
BACE1 P56817 1/20 0.32
KMT2A Q03164 1/20 0.32
TDO2 P48775 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL20028709 0.80 BACE1 (0.38) MAPTALDH1A1ESR2KDM4EALOX5
SCHEMBL22897168 0.76 BACE1 (0.36) MAPTALDH1A1ESR2KDM4EALOX5
SCHEMBL20033973 0.76 CHRM2 (0.38) MAPTALDH1A1ESR2ALOX5BACE1
SCHEMBL1933832 0.71 LMNA (0.38) LMNARECQL
SCHEMBL7409018 0.71 LMNA (0.52) LMNARECQLKCNQ2MAPTALDH1A1
SCHEMBL11780792 0.68 PTGS1 (0.42) MAPTALDH1A1KDM4EPDCD1CD274
SCHEMBL9771901 0.66 LMNA (0.75) LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL9870675 0.66 RECQL (0.43) LMNARECQLMAPTALDH1A1KDM4E
SCHEMBL5907405 0.66 LMNA (0.46) LMNARECQLKCNQ2MAPTALDH1A1
SCHEMBL31412182 0.65 BACE1 (0.48) MAPTALDH1A1ESR2KDM4EALOX5

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 3 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-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

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 LMNA 502/4885RECQL 2877/4885KCNQ2 4645/4885

“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.