SCHEMBL6995788

SCHEMBL6995788

COCc1c2ccc(=O)oc2cc2oc(C)c(C)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
HSD17B3 P37058 1/20 0.44
KDM4E B2RXH2 7/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP3A4 P08684 2/20 0.42
KCNA2 P16389 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAOA P21397 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HPGD P15428 3/20 0.40
MAPT P10636 2/20 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
SCHEMBL6995672 0.84 KMT2A (0.45) KMT2AKDM4ETSHRALDH1A1HSD17B10
SCHEMBL6991055 0.84 KMT2A (0.45) KMT2AHSD17B3KDM4ETSHRALDH1A1
SCHEMBL6998915 0.83 KMT2A (0.52) KMT2AHSD17B3KDM4ETSHRALDH1A1
Hydrochloric Acid SCHEMBL6995179 0.83 KMT2A (0.44) KMT2AKDM4ETSHRALDH1A1HSD17B10
SCHEMBL6999492 0.80 KMT2A (0.41) KMT2AKDM4ETSHRALDH1A1HSD17B10
SCHEMBL29563811 0.79 KMT2A (0.61) KMT2AHSD17B3KDM4ETSHRALDH1A1
SCHEMBL18788609 0.67 KMT2A (1.00) KMT2AKDM4ETSHRALDH1A1HSD17B10
SCHEMBL6999818 0.67 HSD17B3 (0.78) KMT2AHSD17B3KDM4EALDH1A1HSD17B10
SCHEMBL20036224 0.66 CA12 (0.69) KMT2AHSD17B3KDM4ETSHRALDH1A1
SCHEMBL10790909 0.65 HSD17B3 (0.70) HSD17B3KDM4ETSHRALDH1A1HSD17B10

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 KMT2A 2413/4885HSD17B3 3700/4885KDM4E 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.