SCHEMBL6994888

SCHEMBL6994888

Cc1c(CN2C(=O)c3ccccc3C2=O)c(=O)oc2c(C)c(O)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.62
ESR2 Q92731 7/20 0.53
GAA P10253 4/20 0.53
TP53 P04637 2/20 0.53
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
JAK2 O60674 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
MPI P34949 1/20 0.51
HTT P42858 1/20 0.51
BLM P54132 1/20 0.51
MCL1 Q07820 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ESR1 P03372 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.45
CA9 Q16790 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
SCHEMBL6991273 0.82 MAPT (0.59) TP53KDM4EMAPTSMN1; SMN2POLB
SCHEMBL6993944 0.80 ALDH1A1 (0.62) TP53KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL7002316 0.79 KDM4E (0.58) GAAKDM4EPOLBALDH1A1CA12
SCHEMBL7636599 0.78 HSD17B10 (0.53) TP53KDM4EMAPTSMN1; SMN2POLB
SCHEMBL7001821 0.78 ALDH1A1 (0.51) TP53KDM4EMAPTSMN1; SMN2POLB
SCHEMBL7000447 0.77 KDM4E (0.44) SHBGTP53KDM4EMAPTSMN1; SMN2
SCHEMBL29157679 0.77 ESR2 (0.71) SHBGESR2GAATP53KDM4E
SCHEMBL6996781 0.76 MAPT (0.44) SHBGGAATP53KDM4EMAPT
SCHEMBL6996833 0.74 ERAP1 (0.63) GAATP53KDM4EMAPTMAPK1
SCHEMBL6997503 0.73 SHBG (0.63) SHBGESR2GAATP53KDM4E

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 SHBG 1927/4885ESR2 3385/4885GAA 1159/4885

“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.