SCHEMBL6999818

SCHEMBL6999818

COCc1cc(O)cc2oc(=O)ccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 11/20 0.78
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 5/20 0.55
GAA P10253 3/20 0.55
GLA P06280 3/20 0.55
ERAP1 Q9NZ08 1/20 0.50
POLB P06746 1/20 0.49
AKR1B1 P15121 2/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
GRB2 P62993 1/20 0.49
MAPT P10636 1/20 0.48
KCNA2 P16389 1/20 0.48
KCNA1 Q09470 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CA12 O43570 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL5138108 0.88 HSD17B3 (1.00) HSD17B3ALDH1A1KDM4EGAAGLA
SCHEMBL24023252 0.85 HSD17B3 (0.76) HSD17B3ALDH1A1KDM4EGAAGLA
SCHEMBL18721220 0.81 HSD17B3 (0.78) HSD17B3ALDH1A1KDM4EGAAGLA
SCHEMBL28021119 0.80 LCK (0.58) HSD17B3ALDH1A1KDM4EGAAGLA
SCHEMBL13480888 0.78 HSD17B3 (0.73) HSD17B3ALDH1A1KDM4EMAPTKCNA2
SCHEMBL7837457 0.78 KDM4E (0.69) HSD17B3ALDH1A1KDM4EGAAGLA
SCHEMBL655278 0.77 HSD17B3 (0.71) HSD17B3ALDH1A1KDM4EGAAGLA
SCHEMBL17299899 0.77 CYP2D6 (0.72) HSD17B3ALDH1A1KDM4EPOLBLCK
SCHEMBL12305000 0.76 HSD17B3 (0.69) HSD17B3ALDH1A1KDM4EGAAGLA
Hydrogen Sulfide SCHEMBL27992899 0.76 CYP2D6 (0.70) HSD17B3ALDH1A1KDM4EPOLBLCK

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 HSD17B3 3700/4885ALDH1A1 1468/4885KDM4E 3035/4885

“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.