SCHEMBL5058628

SCHEMBL5058628

O=C(Cc1ccccc1)c1cc(OP(=O)(O)O)c(Cc2ccccc2)cc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CB P42338 1/20 0.37
CASP1 P29466 1/20 0.37
PIK3CG P48736 1/20 0.37

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
Phosphoric Acid SCHEMBL5058629 0.76 PRKDC (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL2045613 0.73 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5058546 0.66 PRKDC (0.67) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5790172 0.66 DRD1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL3278487 0.65 NPC1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL1099381 0.64 SRC (0.51) ALDH1A1CYP1A2CYP3A4KDM4EHPGD
SCHEMBL50144 0.64 SMN1; SMN2 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL3495303 0.63 KMO (0.68) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5793887 0.63 TSHR (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL29350363 0.63 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (2 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 ALDH1A1 3519/4885CYP1A2 4700/4885CYP3A4 4226/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 ALDH1A1 3519/4885CYP1A2 4700/4885CYP3A4 4226/4885

“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.