SCHEMBL3417705

SCHEMBL3417705

O=C(O)c1oc2ccccc2c(=O)c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
KDM4E B2RXH2 6/20 0.57
KMT2A Q03164 5/20 0.57
CYP3A4 P08684 4/20 0.57
MEN1 O00255 4/20 0.57
LMNA P02545 3/20 0.57
ALOX15 P16050 2/20 0.57
MAPK1 P28482 2/20 0.57
CA12 O43570 1/20 0.57
TP53 P04637 1/20 0.57
ABCB1 P08183 1/20 0.57
CALM1 P0DP23 1/20 0.57
AR P10275 1/20 0.57
PKM P14618 1/20 0.57
CYP1B1 Q16678 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 5/20 0.50
MAPT P10636 3/20 0.50

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
SCHEMBL29591307 1.00 CA1 (0.61) CA1CA2KDM4EKMT2ACYP3A4
SCHEMBL3610930 0.88 PTPN1 (0.59) CA1CA2KDM4EKMT2ACYP3A4
SCHEMBL28291736 0.87 CA1 (0.62) CA1CA2KDM4EKMT2ACYP3A4
SCHEMBL27438850 0.87 CA1 (0.58) CA1CA2KDM4EKMT2ACYP3A4
SCHEMBL1133577 0.87 CA1 (0.58) CA1CA2KDM4EKMT2ACYP3A4
Water SCHEMBL27449135 0.86 CA1 (0.56) CA1CA2KDM4EKMT2ACYP3A4
SCHEMBL27716370 0.86 PTPN1 (0.66) CA1CA2KDM4EKMT2ACYP3A4
SCHEMBL8154964 0.84 CA1 (0.55) CA1CA2KDM4EKMT2ACYP3A4
SCHEMBL7857929 0.83 CA1 (0.57) CA1CA2KDM4EKMT2ACYP3A4
SCHEMBL22349646 0.83 KDM4E (0.58) CA1CA2KDM4EKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010032248-A2 MULTIFUNCTIONAL ALBUMIN CONJUGATES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-03-25 WO disclosed
US-20100029758-A1 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. 2010-02-04 US disclosed
EP-1484966-A4 DERIVATIVES OF ISOFLAVONES YEDA RES & DEV (IL) 2006-04-05 EP disclosed
US-20050096381-A1 Derivatives of isoflavones YEDA & MEDICAL RESEARCH 2005-05-05 US disclosed
EP-1484966-A2 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-12-15 EP disclosed
WO-2003079965-A2 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-10-02 WO disclosed
EP-0710234-A1 ISOFLAVONE DERIVATIVES CHINOIN LTD. (HU) 1996-05-08 EP disclosed
WO-1995003293-A1 ISOFLAVONE DERIVATIVES CHINOIN LTD. (HU) 1995-02-02 WO disclosed
US-4166862-A WEIGHT-GAIN PROMOTERS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-09-04 US disclosed
US-3949085-A Anabolic-weight-gain promoting compositions containing isoflavone derivatives and method using same CHINOIN GYOGYSZER-ES VEGYESZETI TERMAKEK GYARA RT (HU) 1976-04-06 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 (2 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-20100029758-A1 DERIVATIVES OF ISOFLAVONES GPER1, ESR1, ESR2 CA1 3862/4885CA2 3240/4885KDM4E 2987/4885
US-20050096381-A1 Derivatives of isoflavones GPER1, ESR2, ESR1 CA1 2878/4885CA2 1482/4885KDM4E 1892/4885

“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.