SCHEMBL6993346

SCHEMBL6993346

NCc1c2occc2cc2ccc(=O)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.59
CYP3A4 P08684 5/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2A6 P11509 2/20 0.55
ACHE P22303 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 1/20 0.55
PDE4A P27815 1/20 0.55
MAPK1 P28482 1/20 0.55
SLC6A3 Q01959 1/20 0.55
CYP2A13 Q16696 1/20 0.55
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KCNA3 P22001 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KCNA5 P22460 2/20 0.48
BACE1 P56817 2/20 0.48

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
SCHEMBL14096644 0.84 MAOA (0.55) MAOACYP3A4CYP2D6CYP2A6ACHE
SCHEMBL11253029 0.84 MAOA (0.59) MAOACYP3A4CYP2D6CYP2A6ACHE
SCHEMBL11253468 0.84 MAOA (0.55) MAOACYP3A4CYP2D6CYP2A6ACHE
SCHEMBL18787936 0.81 CYP3A4 (0.56) MAOACYP3A4CYP2D6CYP2A6ACHE
SCHEMBL6993046 0.78 MCL1 (0.45) MAOACYP3A4CYP2D6CYP2A6ACHE
SCHEMBL11317544 0.77 ERAP1 (0.42) MAOACYP3A4CYP2D6CYP2A6ACHE
SCHEMBL17373028 0.75 MAOA (1.00) MAOACYP3A4CYP2D6CYP2A6ACHE
SCHEMBL11268588 0.75 KCNA3 (0.46) MAOACYP3A4CYP2D6CYP2A6ACHE
SCHEMBL30776763 0.75 SRD5A1 (0.64) MAOACYP3A4CYP2D6CYP1A2KDM4E
Xanthotoxol SCHEMBL499269 0.75 CYP3A4 (0.59) MAOACYP3A4CYP2D6CYP2A6ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4328239-A 8-Aminoalkylpsoralens ELDER PHARMACEUTICALS, INC. (US) 1982-05-04 US 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
US-4328239-A 8-Aminoalkylpsoralens ELDER PHARMACEUTICALS, INC. (US) 1982-05-04 US disclosed
US-4294822-A 5-Aminoalkyl-4,4,8-trialkylpsoralens THOMAS C. ELDER, INC. (US) 1981-10-13 US disclosed
US-4279922-A Photosensitizing benzofuranacrylics THOMAS C. ELDER, INC. (US) 1981-07-21 US disclosed
US-4269851-A 8-Aminoalkyl-4-alkylpsoralens THOMAS C. ELDER, INC. (US) 1981-05-26 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 544/4885CYP2D6 1720/4885

“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.