SCHEMBL572371

SCHEMBL572371

CCCCC(=O)Oc1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.49
ACHE P22303 1/20 0.46

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
SCHEMBL30125136 0.94 KMT2A (0.57) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL28008648 0.94 KMT2A (0.57) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL28008331 0.94 KMT2A (0.57) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL8430064 0.94 KMT2A (0.57) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL8846918 0.94 KMT2A (0.57) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL30680466 0.94 KMT2A (0.57) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL27432548 0.94 KMT2A (0.57) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL17138157 0.91 KMT2A (0.54) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL7980728 0.91 LMNA (0.65) LMNAKMT2ASMN1; SMN2GAAACHE
SCHEMBL9736780 0.91 LMNA (0.65) LMNAKMT2ASMN1; SMN2GAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012017204-A1 EFFICIENT AND COST-EFFECTIVE PROCESS FOR THE MANUFACTURE OF AMYL M-CRESOL AESICA PHARMACEUTICALS LIMITED (GB) 2012-02-09 WO disclosed
WO-2012017204-A1 EFFICIENT AND COST-EFFECTIVE PROCESS FOR THE MANUFACTURE OF AMYL M-CRESOL AESICA PHARMACEUTICALS LIMITED (GB) 2012-02-09 WO disclosed
EP-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2316831-A1 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer Novartis AG (CH) 2011-05-04 EP disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 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-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA LMNA 2754/4885KMT2A 2719/4885ALDH1A1 4330/4885

“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.