SCHEMBL8209992

SCHEMBL8209992

O=C(O)OCc1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.57
CA2 P00918 2/20 0.54
CAMK2A Q9UQM7 1/20 0.54
IDO1 P14902 2/20 0.50
CA12 O43570 1/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
ALDH1A1 P00352 3/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
MAPK1 P28482 1/20 0.47

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
Phenol SCHEMBL12470185 0.86 LMNA (0.63) KMT2AMEN1LMNACA2CA12
Benzaldehyde SCHEMBL28630253 0.84 AKR1B10 (0.53) KMT2AMEN1LMNACA12AKR1B10
SCHEMBL30001820 0.83 ALDH1A1 (0.68) KMT2ALMNACA2CA12CA9
SCHEMBL78553 0.83 ALDH1A1 (0.68) KMT2ALMNACA2CA12CA9
SCHEMBL23751425 0.82 ALDH1A1 (0.55) KMT2AMEN1CA2CA12CA4
SCHEMBL8197936 0.82 ALDH1A1 (0.54) KMT2AMEN1CA2IDO1CA9
SCHEMBL1788921 0.82 NR4A2 (0.53) KMT2AMEN1LMNAIDO1ALDH1A1
SCHEMBL1790470 0.82 ALDH1A1 (0.54) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL5369370 0.82 ALDH1A1 (0.50) LMNACA2CA9ALDH1A1L3MBTL1
SCHEMBL1561073 0.82 ALDH1A1 (0.45) KMT2AMEN1LMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470776-B2 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2013-06-25 US disclosed
US-8470776-B2 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2013-06-25 US disclosed
US-20100317580-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2010-12-16 US disclosed
US-20100317580-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2010-12-16 US disclosed
EP-1900742-A1 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AEterna Zentaris GmbH (DE) 2008-03-19 EP disclosed
WO-2008028934-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-03-13 WO disclosed
US-5627301-A Process for the preparation of mono-alkylcarbonate of bisphenols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1997-05-06 US 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-20100317580-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF EPCAM, CD99, PTMS KMT2A 4199/4885MEN1 247/4885LMNA 4776/4885

“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.