SCHEMBL6996930

SCHEMBL6996930

Cc1oc2c(COCCOS(C)(=O)=O)c3oc(=O)cc(C)c3cc2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
CYP1A2 P05177 2/20 0.39
ALPL P05186 2/20 0.39
TSHR P16473 2/20 0.39
MCL1 Q07820 2/20 0.39
KDM4E B2RXH2 10/20 0.36
ALDH1A1 P00352 8/20 0.36
GAA P10253 6/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
GLA P06280 5/20 0.36
ERAP1 Q9NZ08 3/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PABPC1 P11940 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL7093976 0.89 MAOA (0.41) HSD17B10CYP1A2ALPLTSHRMCL1
SCHEMBL4374604 0.88 MAOA (0.40) HSD17B10CYP1A2ALPLTSHRMCL1
SCHEMBL6993313 0.83 MCL1 (0.41) HSD17B10CYP1A2TSHRMCL1KDM4E
SCHEMBL7000396 0.83 MCL1 (0.41) HSD17B10CYP1A2MCL1KDM4EALDH1A1
SCHEMBL6996000 0.83 ALDH1A1 (0.39) HSD17B10CYP1A2ALPLTSHRKDM4E
Hydrochloric Acid SCHEMBL7001517 0.82 MCL1 (0.41) HSD17B10CYP1A2TSHRMCL1KDM4E
SCHEMBL6990104 0.79 KDM4E (0.44) HSD17B10CYP1A2TSHRMCL1KDM4E
SCHEMBL7524643 0.74 MAOA (0.40) HSD17B10CYP1A2ALPLTSHRMCL1
SCHEMBL6996035 0.73 MCL1 (0.45) HSD17B10CYP1A2TSHRMCL1KDM4E
SCHEMBL4201437 0.73 MCL1 (0.45) HSD17B10CYP1A2TSHRMCL1KDM4E

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 HSD17B10 2207/4885CYP1A2 1542/4885ALPL 530/4885

“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.