SCHEMBL3363979

SCHEMBL3363979

O=[PH](Oc1ccccc1Br)Oc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GRM4 Q14833 2/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
IDO1 P14902 2/20 0.35
MGLL Q99685 1/20 0.34
NPC1 O15118 1/20 0.34
TTR P02766 1/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL31560449 0.82 GRM4 (0.39) RAB9AHTR7ALDH1A1GRM4HTR1A
SCHEMBL3363981 0.82 GRM4 (0.39) RAB9AHTR7ALDH1A1GRM4HTR1A
SCHEMBL18973685 0.72 MAPK1 (0.46) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL28351226 0.71 CA1 (0.62) ALDH1A1ADRA2BMGLLKMT2ALMNA
SCHEMBL28229089 0.71 RAB9A (0.41) RAB9AHTR7ALDH1A1GRM4HTR1A
SCHEMBL4097608 0.71 ALDH1A1 (0.50) ALDH1A1ADRA2BLMNASMN1; SMN2KDM4E
SCHEMBL16670834 0.71 CA2 (0.50) RAB9AALDH1A1NPC1KMT2ALMNA
SCHEMBL28644417 0.71 RAB9A (0.41) RAB9AHTR7ALDH1A1GRM4MGLL
SCHEMBL8953425 0.71 LMNA (0.47) RAB9AALDH1A1NPC1KMT2ALMNA
SCHEMBL3281430 0.71 TSHR (0.43) RAB9AALDH1A1NPC1KMT2AMEN1

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-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
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
EP-1509537-B9 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-11-14 EP disclosed
EP-1509537-B1 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-07-18 EP disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (4 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP RAB9A 2542/4885HTR7 4228/4885ALDH1A1 3361/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS RAB9A 2372/4885HTR7 2911/4885ALDH1A1 3232/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 RAB9A 2543/4885HTR7 4181/4885ALDH1A1 3337/4885
US-20160250866-A1 IMAGE RECORDING PAPER MEDIUM AND IMAGE RECORDING METHOD PHOSPHO1, ITPR2, PPIP5K2 RAB9A 2337/4885HTR7 2493/4885ALDH1A1 4176/4885

“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.