SCHEMBL6235934

SCHEMBL6235934

O=C1C=C(c2cccc3ccccc23)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 1.00
NSD2 O96028 1/20 0.62
OPRM1 P35372 1/20 0.62
OPRD1 P41143 1/20 0.62
HKDC1 Q2TB90 1/20 0.62
PTPRC P08575 8/20 0.58
PTPRF P10586 2/20 0.57
CDC25B P30305 2/20 0.57
KDM4E B2RXH2 2/20 0.46
ALPL P05186 1/20 0.46
GAA P10253 1/20 0.46
DNMT1 P26358 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46

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
SCHEMBL8600693 0.80 PTPN1 (0.75) PTPN1NSD2HKDC1PTPRCPTPRF
SCHEMBL197980 0.74 PTPN1 (0.59) PTPN1NSD2OPRM1OPRD1HKDC1
SCHEMBL6231543 0.73 PTPRC (1.00) PTPN1NSD2HKDC1PTPRCPTPRF
SCHEMBL8992461 0.73 PTPN1 (1.00) PTPN1NSD2OPRM1OPRD1HKDC1
SCHEMBL8597428 0.73 PTPN1 (0.65) PTPN1NSD2OPRM1OPRD1HKDC1
SCHEMBL10719569 0.72 PTPN1 (0.56) PTPN1KDM4EALPLGAAALDH1A1
SCHEMBL8596446 0.72 PTPN1 (0.64) PTPN1NSD2HKDC1PTPRCPTPRF
SCHEMBL6236312 0.72 PTPN1 (1.00) PTPN1NSD2HKDC1PTPRCPTPRF
SCHEMBL29808966 0.72 PTPN1 (1.00) PTPN1NSD2HKDC1PTPRCPTPRF
SCHEMBL11544154 0.72 PTPN1 (0.56) PTPN1NSD2OPRM1OPRD1HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939896-B2 Naphthalenedione derivatives; treating autoimmune diseases and organ graft rejection ASTRAZENECA AB (SE) 2005-09-06 US disclosed
EP-1259231-B1 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-05-25 EP disclosed
US-20030119897-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-06-26 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-20030119897-A1 Cd45 inhibitors PTPRC, CD2, HLA-C PTPN1 18/4885NSD2 3281/4885OPRM1 570/4885

“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.