SCHEMBL2850735

SCHEMBL2850735

O=C1c2c(O)cc(O)cc2OCC1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.54
ALDH1A1 P00352 1/20 0.53
PTPN1 P18031 2/20 0.53
ALOX12 P18054 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.45

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
SCHEMBL29412620 0.90 ALOX12 (0.65) CYP19A1ALDH1A1PTPN1ALOX12MEN1
SCHEMBL12825176 0.90 ALOX12 (0.65) CYP19A1ALDH1A1PTPN1ALOX12MEN1
SCHEMBL678189 0.90 ALOX12 (0.65) CYP19A1ALDH1A1PTPN1ALOX12MEN1
SCHEMBL13640753 0.86 PTPN1 (0.56) CYP19A1ALDH1A1PTPN1ALOX12MEN1
SCHEMBL6142399 0.85 CYP19A1 (0.65) CYP19A1ALDH1A1PTPN1ALOX12MEN1
SCHEMBL30217542 0.84 PTPN1 (0.57) CYP19A1ALDH1A1PTPN1ALOX12MEN1
SCHEMBL17963719 0.84 PTPN1 (0.57) CYP19A1ALDH1A1PTPN1ALOX12MEN1
SCHEMBL14183128 0.84 PTPN1 (0.52) CYP19A1ALDH1A1PTPN1ALOX12MEN1
Dihydrobiochanin A SCHEMBL30217535 0.83 ALOX12 (0.67) CYP19A1ALDH1A1PTPN1ALOX12MEN1
SCHEMBL29737519 0.80 TDP1 (0.53) CYP19A1PTPN1ALOX12MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579303-B2 Compositions containing polysaccharides DSM IP ASSETS B.V. (NL) 2017-02-28 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
WO-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 WO disclosed
EP-1853252-B1 COMPOSITIONS CONTAINING POLYSACCHARIDES DSM IP ASSETS BV (NL) 2010-09-08 EP disclosed
US-20080193575-A1 Compositions Containing Polysaccharides DSM IP ASSETS B.V. (NL) 2008-08-14 US disclosed
US-7326797-B2 Manufacture of isoflavones DSM IP ASSETS B.V. (NL) 2008-02-05 US disclosed
EP-1523478-B1 MANUFACTURE OF ISOFLAVONES DSM IP ASSETS BV (NL) 2007-12-12 EP disclosed
EP-1853252-A1 COMPOSITIONS CONTAINING POLYSACCHARIDES DSMIP Assets B.V. (NL) 2007-11-14 EP disclosed
WO-2006087164-A1 COMPOSITIONS CONTAINING POLYSACCHARIDES DSM IP ASSETS B.V. (NL) 2006-08-24 WO disclosed
US-20050256321-A1 Manufacture of isoflavones DSM IP ASSETS B.V. (NL) 2005-11-17 US disclosed
EP-1523478-A2 MANUFACTURE OF ISOFLAVONES DSM IP Assets B.V. (NL) 2005-04-20 EP disclosed
WO-2004009576-A2 MANUFACTURE OF ISOFLAVONES DSM IP ASSETS B.V. (NL) 2004-01-29 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-20080193575-A1 Compositions Containing Polysaccharides GLMN, GRN, GCG CYP19A1 1037/4885ALDH1A1 4783/4885PTPN1 221/4885
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA CYP19A1 2218/4885ALDH1A1 2191/4885PTPN1 4798/4885
US-20050256321-A1 Manufacture of isoflavones HAAO, HAO2, CYP2F1 CYP19A1 9/4885ALDH1A1 1856/4885PTPN1 4490/4885

“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.