SCHEMBL4154489

SCHEMBL4154489

O=[PH](O)OCO.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
FFAR1 O14842 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
NOS1 P29475 2/20 0.41
HDAC1 Q13547 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
Biphenyl SCHEMBL10634583 0.83 ALDH1A1 (0.39) TDP1FFAR1SMN1; SMN2TAAR1ALDH1A1
SCHEMBL9052906 0.82 TDP1 (0.44) TDP1FFAR1MAOAMAOBKEAP1
SCHEMBL2817046 0.82 TDP1 (0.47) TDP1FFAR1KEAP1SMN1; SMN2CYP2A6
SCHEMBL19744359 0.80 TDP1 (0.39) TDP1FFAR1MAOAMAOBKEAP1
Phosphonic Acid SCHEMBL3817713 0.80 FFAR1 (0.56) TDP1FFAR1MAOAMAOBKEAP1
SCHEMBL7290855 0.79 ALDH1A1 (0.47) TDP1FFAR1MAOAMAOBKEAP1
SCHEMBL10528704 0.79 FFAR1 (0.47) TDP1FFAR1MAOAMAOBKEAP1
SCHEMBL17061044 0.78 LMNA (0.53) TDP1FFAR1MAOBSMN1; SMN2HTR2A
SCHEMBL7434838 0.77 FFAR1 (0.49) FFAR1MAOAMAOBSMN1; SMN2NOS1
SCHEMBL698616 0.77 TSHR (0.48) TDP1MAOAMAOBSMN1; SMN2ALDH1A1

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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001055082-A2 INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2001-08-02 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 TDP1 542/4885FFAR1 3326/4885MAOA 371/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 TDP1 327/4885FFAR1 3812/4885MAOA 566/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 TDP1 327/4885FFAR1 3812/4885MAOA 566/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 TDP1 537/4885FFAR1 3887/4885MAOA 351/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE TDP1 135/4885FFAR1 4631/4885MAOA 3071/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE TDP1 135/4885FFAR1 4631/4885MAOA 3071/4885

“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.