SCHEMBL6997006

SCHEMBL6997006

COc1c2ccoc2c(CCl)c2oc(=O)ccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.69
▸ KDM4E B2RXH2 6/20 0.69
▸ CYP1A2 P05177 5/20 0.69
▸ CYP1A1 P04798 4/20 0.69
▸ CYP1B1 Q16678 4/20 0.69
▸ HPGD P15428 3/20 0.69
▸ POLB P06746 1/20 0.69
▸ ALDH1A1 P00352 6/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ MAPT P10636 2/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ KCNA2 P16389 2/20 0.53
▸ BACE1 P56817 3/20 0.53
▸ CYP2D6 P10635 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP2A6 P11509 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MAOA P21397 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ PGR P06401 1/20 0.52

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
SCHEMBL2383938 0.86 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL498907 0.82 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL29568822 0.82 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL29740208 0.81 CYP1B1 (0.69) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL16352046 0.81 CYP1B1 (0.69) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL6361059 0.78 CYP3A4 (0.75) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL30985284 0.78 KDM4E (0.71) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Pimpinellin SCHEMBL2255899 0.78 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Pimpinellin SCHEMBL29162721 0.77 CYP3A4 (0.97) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL5960652 0.75 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1

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 CYP3A4 544/4885KDM4E 3035/4885CYP1A2 1542/4885

“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.

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