Psoralen

Psoralen

SCHEMBL4376218

NON.O=c1ccc2cc3ccoc3cc2o1

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.86
KDM4E B2RXH2 6/20 0.86
HSD17B10 Q99714 6/20 0.86
CYP3A4 P08684 5/20 0.86
ACHE P22303 4/20 0.86
CYP2A6 P11509 4/20 0.86
CYP2D6 P10635 3/20 0.86
CYP2C19 P33261 3/20 0.86
CYP2C9 P11712 2/20 0.86
NFKB1 P19838 2/20 0.86
MCL1 Q07820 5/20 0.50
GAA P10253 4/20 0.50
NPC1 O15118 1/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
PTPN1 P18031 1/20 0.50
RAB9A P51151 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 6/20 0.49
CA12 O43570 6/20 0.49

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
Psoralen SCHEMBL29503678 0.93 MAOA (1.00) MAOAKDM4EHSD17B10CYP3A4ACHE
Psoralen SCHEMBL17835 0.93 MAOA (1.00) MAOAKDM4EHSD17B10CYP3A4ACHE
Psoralen SCHEMBL2684633 0.93 MAOA (1.00) MAOAKDM4EHSD17B10CYP3A4ACHE
Psoralen SCHEMBL29165499 0.91 MAOA (0.96) MAOAKDM4EHSD17B10CYP3A4ACHE
Psoralen SCHEMBL8707426 0.91 MAOA (0.96) MAOAKDM4EHSD17B10CYP3A4ACHE
Psoralen SCHEMBL28036058 0.91 MAOA (0.96) MAOAKDM4EHSD17B10CYP3A4ACHE
Psoralen SCHEMBL3647286 0.91 MAOA (0.96) MAOAKDM4EHSD17B10CYP3A4ACHE
Psoralen SCHEMBL27405230 0.91 MAOA (0.96) MAOAKDM4EHSD17B10CYP3A4ACHE
Psoralen SCHEMBL28497870 0.90 KDM4E (0.86) MAOAKDM4EHSD17B10CYP3A4ACHE
SCHEMBL11458294 0.87 HSD17B10 (0.89) MAOAKDM4EHSD17B10CYP3A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071642-B2 Dimethyl amino ethyl ether psoralens and methods for their production and use RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-06 US disclosed
US-20090155224-A1 Dimethyl amino ethyl ether psoralens and methods for their production and use RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2009-06-18 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-20090155224-A1 Dimethyl amino ethyl ether psoralens and methods for their production and use HLA-C, HLA-A, HLA-B MAOA 2979/4885KDM4E 175/4885HSD17B10 3319/4885

“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.