SCHEMBL7001341

SCHEMBL7001341

CC(=O)COc1ccc2cc(CN3C(=O)c4ccccc4C3=O)c(=O)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.63
▸ NPC1 O15118 7/20 0.63
▸ ALDH1A1 P00352 8/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ HPGD P15428 6/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAOB P27338 5/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL6995943 0.88 GLA (0.61) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL7000666 0.81 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL6989186 0.78 MIF (0.53) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL7093747 0.76 MAOA (0.61) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL20752257 0.73 RAB9A (0.79) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL10405182 0.71 MAOA (0.44) ALDH1A1KDM4EHSD17B10SMN1; SMN2RECQL
SCHEMBL8869879 0.71 KDM4E (0.72) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL7852223 0.69 AKR1C3 (0.78) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL20553975 0.69 KDM4E (0.67) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL18355295 0.69 RAB9A (0.58) RAB9ANPC1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032265-B1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2003-10-29 — — EP disclosed
US-20030082510-A1 Psoralens for pathogen inactivation CERUS CORPORATION (US) 2003-05-01 — — US disclosed
US-6455286-B1 MIXING PSORALEN COMPOUND OF DEFINED STRUCTURE WITH BIOLOGICAL COMPOSITION SUCH AS BLOOD OR PLATELETS, THEN PHOTOACTIVATING COMPOUND TO DEACTIVATE PATHOGEN CERUS CORPORATION 2002-09-24 — — US disclosed
EP-1032265-A4 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2001-05-30 — — EP disclosed
US-6133460-A HAVE PRIMARY AMINO SUBSTITUTIONS ON THE 3-, 4-, 5-, AND 8-POSITIONS OF THE PSORALEN WHICH PERMIT BINDING TO NUCLEIC ACID OF PATHOGENS; CONDITIONS THAT PHOTOACTIVATE THESE PSORALENS RESULT IN INACTIVATION OF PATHOGENS WHICH CONTAIN NUCLEIC ACID CERUS CORPORATION (US) 2000-10-17 — — US disclosed
EP-1032265-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION Cerus Corporation (US) 2000-09-06 — — EP disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 — — 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 (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-20030082510-A1 Psoralens for pathogen inactivation BPGM, XPA, RAD50 RAB9A 4514/4885NPC1 4191/4885ALDH1A1 1468/4885

“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.

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