SCHEMBL7000533

SCHEMBL7000533

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 9/20 0.48
TSHR P16473 5/20 0.48
HSD17B10 Q99714 4/20 0.46
MAPT P10636 4/20 0.44
ALDH1A2 O94788 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH1B1 P30837 1/20 0.44
ALDH1A3 P47895 1/20 0.44
PON1 P27169 1/20 0.43
GLA P06280 3/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HPGD P15428 4/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
Hydrochloric Acid SCHEMBL6998438 0.98 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL6990146 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL6992711 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL6999793 0.82 KCNA2 (0.49) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL4194826 0.78 ALDH1A1 (0.60) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL6995742 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL4201437 0.77 MCL1 (0.45) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL6994361 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL6990143 0.76 POLB (0.55) ALDH1A1TSHRHSD17B10MAPTALDH1A2
Hydrochloric Acid SCHEMBL6997015 0.76 MCL1 (0.44) ALDH1A1KDM4ETSHRHSD17B10MAPT

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 ALDH1A1 1468/4885KDM4E 3035/4885TSHR 3453/4885

“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.