SCHEMBL7608849

SCHEMBL7608849

O=C(O)CCCC(c1ccc2ccccc2c1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
UTS2R Q9UKP6 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCKBR P32239 1/20 0.39
NR1H4 Q96RI1 3/20 0.38
PPARG P37231 2/20 0.38
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL5134278 0.86 ACP3 (0.49) CYP1A2ALDH1A1HDAC1HDAC8CYP2D6
SCHEMBL7616169 0.84 CYP1A2 (0.43) CYP1A2EPHX1ALDH1A1HDAC1HDAC8
SCHEMBL7610429 0.81 CYP1A2 (0.45) CYP1A2EPHX1ALDH1A1HDAC1HDAC8
SCHEMBL7614449 0.80 TBXAS1 (0.40) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL5051255 0.78 HDAC3 (0.38) CYP1A2ALDH1A1HDAC1HDAC8CYP2D6
SCHEMBL7614373 0.78 ACP3 (0.55) CYP1A2CYP2D6CYP2C19PPARG
SCHEMBL5053039 0.77 TBXAS1 (0.55)
SCHEMBL5053330 0.75 FOLH1 (0.42) CYP1A2HDAC1HDAC8UTS2RPPARG
SCHEMBL5053026 0.75 UTS2R (0.46) CYP1A2HDAC1HDAC8UTS2RPTPN1
SCHEMBL7613685 0.74 KDM4E (0.39) CYP1A2ALDH1A1HDAC1HDAC8CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US claimed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US claimed
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US disclosed
US-6372726-B1 ADMINISTERING CARBOXYALKYL PHOSPHONATE, PHOSPHORAMIDATE, OR PHOSPHINE OXIDE DERIVATIVE AS ANTITUMOR AGENT TO TREAT CANCER OF PROSTATE GLAND GUILFORD PHARMACEUTICALS INC. 2002-04-16 US disclosed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
US-6011021-A GLUTAMATE-DERIVED HYDROXYPHOSPHINYL DERIVATIVE. GUILFORD PHARMACEUTICALS INC. (US) 2000-01-04 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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 CYP1A2 4583/4885EPHX1 1647/4885ALDH1A1 737/4885

“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.