SCHEMBL4092933

SCHEMBL4092933

O=[PH](O)Oc1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
POLB P06746 1/20 0.41
APP P05067 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CA1 P00915 2/20 0.38
CA6 P23280 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL4092932 0.85 CYP3A4 (0.52) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL17082322 0.82 CYP3A4 (0.58) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL9909100 0.80 CYP3A4 (0.47) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL18377008 0.78 BACE1 (0.40) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL18037095 0.78 WDR5 (0.47) LMNATSHRCYP2C9
SCHEMBL9965355 0.78 LMNA (0.53) ALDH1A1LMNAPOLBTDP1ACHE
SCHEMBL28437450 0.78 CES2 (0.50) CYP3A4CA2CA9ALDH1A1LMNA
SCHEMBL3361606 0.78 KMT2A (0.44) ALDH1A1LMNAHSD17B10TSHRCYP2C9
SCHEMBL1961835 0.78 ALDH1A1 (0.50) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL30586470 0.78 HPGD (0.42) ALDH1A1ESR1ESR2

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
US-9920083-B2 Image recording paper medium and image recording method FUJIFILM CORPORATION (JP) 2018-03-20 US disclosed
US-20160250866-A1 IMAGE RECORDING PAPER MEDIUM AND IMAGE RECORDING METHOD FUJIFILM CORPORATION (JP) 2016-09-01 US disclosed
WO-2012015873-A1 METHOD FOR IMPROVING THE DEPOSIT FORMATION RESISTANCE PERFORMANCE OF TURBINE OILS CONTAINING AMINE ANTIOXIDANTS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-02-02 WO disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
CN-101410120-A Anti-inflammatory phosphonate compounds GILEAD SCIENCES INC (US) 2009-04-15 CN disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 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 (5 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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG CYP3A4 3919/4885CA12 3364/4885CA2 4123/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG CYP3A4 3919/4885CA12 3364/4885CA2 4123/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES CYP3A4 1894/4885CA12 2203/4885CA2 732/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES CYP3A4 1894/4885CA12 2203/4885CA2 732/4885
US-20160250866-A1 IMAGE RECORDING PAPER MEDIUM AND IMAGE RECORDING METHOD PHOSPHO1, ITPR2, PPIP5K2 CYP3A4 4706/4885CA12 429/4885CA2 33/4885

“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.