SCHEMBL10150345

SCHEMBL10150345

CC(C)[C@@H]1C/C=C/CCCCC(O)Cc2cc(O)cc(O)c2C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ESR2 Q92731 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NR1I2 O75469 2/20 0.51
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 2/20 0.51
MAPT P10636 2/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
MKNK2 Q9HBH9 5/20 0.49
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
ESR1 P03372 1/20 0.44
HPGD P15428 1/20 0.44
STAT3 P40763 1/20 0.44
KIT P10721 2/20 0.44
PDGFRA P16234 2/20 0.44
KDR P35968 2/20 0.44

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
SCHEMBL19418414 1.00 LMNA (0.51) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL10150349 0.87 MKNK2 (0.65) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL10150369 0.87 MKNK2 (0.65) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL10150342 0.84 MKNK2 (0.44) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL14293734 0.80 MKNK2 (0.48) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL19418412 0.79 SMN1; SMN2 (0.46) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL10150028 0.78 F13A1 (0.61) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL14292762 0.76 F13A1 (0.48) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL19418365 0.76 F13A1 (0.48) LMNASMN1; SMN2ESR2ALDH1A1NR1I2
SCHEMBL13983849 0.76 F13A1 (0.67) LMNASMN1; SMN2ESR2ALDH1A1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136799-B1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 UNIV STRASBOURG (FR) 2017-10-04 EP disclosed
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-8329683-B2 Treatment of neurofibromatosis with radicicol and its derivatives NEXGENIX PHARMACEUTICALS, LLC (US) 2012-12-11 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 US disclosed
US-8067412-B2 analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen UNIVERSITE DE STRASBOURG (FR) 2011-11-29 US disclosed
US-8067412-B2 analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen UNIVERSITE DE STRASBOURG (FR) 2011-11-29 US disclosed
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 US disclosed
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 US disclosed
WO-2008150302-A1 TREATMENT OF NEUROFIBROMATOSIS WITH RADICICOL AND ITS DERIVATIVES NEXGENIX PHARMACEUTICALS (US) 2008-12-11 WO disclosed
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 US disclosed
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 US disclosed
WO-2008021213-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 WINSSINGER NICOLAS (FR) 2008-02-21 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 (3 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P LMNA 1828/4885SMN1; SMN2 3908/4885ESR2 2006/4885
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives HSP90AB2P, HSP90AA1, HSPA2 LMNA 1203/4885SMN1; SMN2 919/4885ESR2 1336/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P LMNA 1828/4885SMN1; SMN2 3908/4885ESR2 2006/4885

“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.