SCHEMBL6990143

SCHEMBL6990143

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 1/20 0.54
NFKB1 P19838 3/20 0.51
CTDSP1 Q9GZU7 2/20 0.47
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ALDH1A2 O94788 2/20 0.47
ALDH2 P05091 2/20 0.47
ALDH1B1 P30837 2/20 0.47
ALDH1A3 P47895 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.40

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 SCHEMBL7000288 0.98 POLB (0.54) POLBTP53MAPTALDH1A1TSHR
SCHEMBL7001826 0.82 TSHR (0.57) POLBTP53MAPTALDH1A1TSHR
Hydrochloric Acid SCHEMBL6998867 0.81 POLB (0.56) POLBTP53MAPTALDH1A1TSHR
SCHEMBL756454 0.80 ALDH1A1 (0.54) POLBTP53MAPTALDH1A1TSHR
Hydrochloric Acid SCHEMBL6991180 0.79 ALDH1A1 (0.52) POLBTP53MAPTALDH1A1TSHR
SCHEMBL7000533 0.76 ALDH1A1 (0.48) POLBTP53MAPTALDH1A1TSHR
SCHEMBL4201437 0.75 MCL1 (0.45) POLBMAPTALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL6998438 0.75 ALDH1A1 (0.47) POLBTP53MAPTALDH1A1TSHR
Hydrochloric Acid SCHEMBL6997015 0.74 MCL1 (0.44) POLBMAPTALDH1A1TSHRHSD17B10
SCHEMBL410269 0.72 KDM4E (0.51) TP53MAPTALDH1A1TSHRHSD17B10

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 POLB 39/4885TP53 230/4885MAPT 2933/4885

“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.