SCHEMBL9355484

SCHEMBL9355484

Cc1ccc(C)c([PH](=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TRPA1 O75762 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
TTR P02766 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 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
SCHEMBL562789 0.82 TDP1 (0.44) TDP1TP53ALDH1A1GAAMEN1
SCHEMBL3853744 0.81 TDP1 (0.42) TDP1TP53ALDH1A1GAAMEN1
SCHEMBL31189333 0.81 TDP1 (0.42) TDP1TP53ALDH1A1GAAMEN1
SCHEMBL15820157 0.75 GAA (0.34) TDP1TP53ALDH1A1GAATSHR
SCHEMBL17424000 0.75 TDP1 (0.35) TDP1TP53ALDH1A1GAAMEN1
SCHEMBL987477 0.74 HTT (0.41) TDP1ALDH1A1GAATSHRCYP2C9
SCHEMBL15820162 0.74 GAA (0.33) ALDH1A1GAATSHRTRPA1
SCHEMBL9441930 0.73 CYP3A4 (0.32) TSHR
SCHEMBL27634287 0.72 AMY1A (0.36) TDP1TP53MEN1KMT2ACYP2C9
SCHEMBL15759862 0.72 HTT (0.47) TDP1ALDH1A1GAATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103370326-B As the phosphorus derivant of chemokine receptor modulators ALLERGAN, INC. (US) 2016-05-11 CN claimed
US-5245005-A Amine end groups, phosphinic acid catalyst MONSANTO COMPANY (US) 1993-09-14 US claimed
EP-2651957-B1 PHOSPHOROUS DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-02-18 EP disclosed
EP-2651957-A1 PHOSPHOROUS DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP disclosed
US-8518913-B2 Phosphorous derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-08-27 US disclosed
US-20120157413-A1 PHOSPHOROUS DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
WO-2012082568-A1 PHOSPHOROUS DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO disclosed
EP-0439470-B1 PROCESS FOR INCREASING THE MOLECULAR WEIGHT OF A POLYAMIDE DU PONT (US) 1994-11-02 EP disclosed
US-5245005-A Amine end groups, phosphinic acid catalyst MONSANTO COMPANY (US) 1993-09-14 US disclosed
EP-0439470-A1 PROCESS FOR INCREASING THE MOLECULAR WEIGHT OF A POLYAMIDE. DU PONT (US) 1991-08-07 EP disclosed
US-4966949-A PHENYLPHOSPHINIC ACID DERIVATIVES; HIGH STRENGTH MATERIAL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-30 US disclosed
WO-1990004614-A1 PROCESS FOR INCREASING THE MOLECULAR WEIGHT OF A POLYAMIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-03 WO disclosed
US-4359431-A Preparation of arylphosphinic acids STAUFFER CHEMICAL COMPANY (US) 1982-11-16 US disclosed
US-4316858-A Preparation of arylphosphinic acids STAUFFER CHEMICAL COMPANY (US) 1982-02-23 US disclosed
US-4316859-A Preparation of arylphosphinic acids STAUFFER CHEMICAL COMPANY (US) 1982-02-23 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 (1 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-20120157413-A1 PHOSPHOROUS DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CXCR3, CXCR2 TDP1 4467/4885TP53 3572/4885ALDH1A1 4208/4885

“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.