SCHEMBL3564341

SCHEMBL3564341

C=C(C)C(=O)c1ccc2sc3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
GPR3 P46089 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP12 P39900 2/20 0.40
MMP13 P45452 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 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
SCHEMBL19802973 0.83 CYP1A2 (0.53) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL7915404 0.83 CYP1A2 (0.60) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL3111619 0.78 CYP1A2 (0.67) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL30839928 0.78 CYP1A2 (0.67) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL12800469 0.78 CYP1A2 (0.55) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL30662816 0.77 CYP1A2 (0.53) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL26650995 0.77 CYP1A2 (0.53) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL11041632 0.77 CYP1A2 (0.60) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL15041034 0.76 GPR3 (0.54) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL3556141 0.76 CYP1A2 (0.56) CYP1A2PTPN7DUSP3PTPN12PTPN22

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-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 US disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 WO disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 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-20060152149-A1 Porphyrin compositions ACP1, MMS19, MVD CYP1A2 2696/4885PTPN7 2802/4885DUSP3 4038/4885

“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.