SCHEMBL7003510

SCHEMBL7003510

O=c1oc2cc3occc3cc2cc1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.54
CYP3A4 P08684 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
ACHE P22303 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.50
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.37
MIF P14174 1/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37

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
SCHEMBL8936325 0.86 MAOA (0.56) MAOACYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL6991403 0.84 MAOA (0.54) MAOACYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL6995029 0.84 MAOA (0.54) MAOACYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL4247907 0.84 MAOA (0.54) MAOACYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL4235603 0.79 CYP3A4 (0.59) MAOACYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL11392904 0.78 HTT (0.51) MAOACYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL7830030 0.76 CYP2A6 (0.59) MAOACYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL29066603 0.76 ESR2 (0.61) HSD17B10KDM4ECASP1CASP7POLB
SCHEMBL3467047 0.76 CYP3A4 (0.59) MAOACYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL5488820 0.76 CYP2A6 (0.59) MAOACYP3A4HSD17B10KDM4ECYP2D6

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871771-A1 METHODS AND COMPOSITIONS FOR EFFECTING HOMOLOGOUS RECOMBINATION YALE UNIVERSITY (US) 1998-10-21 EP claimed
US-5776744-A BETWEEN A NATIVE NUCLEIC ACID SEGMENT IN A CELL AND A DONOR NUCLEIC ACID SEGMENT INTRODUCED INTO THE CELL YALE UNIVERSITY (US) 1998-07-07 US claimed
WO-1996041008-A1 METHODS AND COMPOSITIONS FOR EFFECTING HOMOLOGOUS RECOMBINATION YALE UNIVERSITY (US) 1996-12-19 WO claimed
WO-1996040271-A1 TREATMENT OF HEMOGLOBINOPATHIES YALE UNIVERSITY (US) 1996-12-19 WO claimed
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
EP-0871771-A1 METHODS AND COMPOSITIONS FOR EFFECTING HOMOLOGOUS RECOMBINATION YALE UNIVERSITY (US) 1998-10-21 EP disclosed
US-5776744-A BETWEEN A NATIVE NUCLEIC ACID SEGMENT IN A CELL AND A DONOR NUCLEIC ACID SEGMENT INTRODUCED INTO THE CELL YALE UNIVERSITY (US) 1998-07-07 US disclosed
EP-0752000-A1 PACKAGING-DEFICIENT LENTIVIRUSES SYNGENIX LIMITED (GB) 1997-01-08 EP disclosed
WO-1996041008-A1 METHODS AND COMPOSITIONS FOR EFFECTING HOMOLOGOUS RECOMBINATION YALE UNIVERSITY (US) 1996-12-19 WO disclosed
WO-1996040271-A1 TREATMENT OF HEMOGLOBINOPATHIES YALE UNIVERSITY (US) 1996-12-19 WO disclosed
US-5514707-A Inhibition of smooth muscle cell proliferation by 8-methoxypsoralen photoactivated by visible light YALE UNIVERSITY (US) 1996-05-07 US disclosed
WO-1995025806-A2 PACKAGING-DEFICIENT LENTIVIRUSES SYNGENIX LIMITED (GB) 1995-09-28 WO disclosed
US-5354774-A Aftertreatment angioplasty YALE UNIVERSITY (US) 1994-10-11 US 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 MAOA 2213/4885CYP3A4 544/4885HSD17B10 2207/4885

“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.