SCHEMBL5104033

SCHEMBL5104033

Oc1cccc(/C2=C3\CC/C(=C(\c4cccc(O)c4)C4=N/C(=C(/c5cccc(O)c5)C5CCC(N5)/C(c5cccc(O)c5)=C5/C=CC2=N5)C=C4)N3)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31

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
SCHEMBL8908351 1.00 CHRNB4 (0.31) CHRNB4CHRNA3IDH1SLC6A3HSD17B1
SCHEMBL8907704 0.85 CCNB2 (0.32) IDH1SLC6A3HSD17B1HSD17B2
SCHEMBL249200 0.72 HSD17B1 (0.47) CHRNB4CHRNA3HSD17B1HSD17B2
SCHEMBL5016512 0.70 — —
SCHEMBL9559701 0.69 SLC6A3 (0.30) SLC6A3
SCHEMBL4411632 0.69 HSD17B1 (0.43) HSD17B1HSD17B2
SCHEMBL4411533 0.69 HSD17B1 (0.43) HSD17B1HSD17B2
SCHEMBL4412721 0.69 HSD17B1 (0.43) HSD17B1HSD17B2
SCHEMBL5104039 0.67 CHRNB4 (0.38) CHRNB4CHRNA3HSD17B1HSD17B2
SCHEMBL5100896 0.66 CHRNB4 (0.38) CHRNB4CHRNA3HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040912-A1 Compounds for pdt BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2006-02-23 — — US claimed
EP-1263761-B1 COMPOUNDS FOR PDT BIOLITEC PHARMA MARKETING LTD (MY) 2004-12-01 — — EP claimed
EP-0337601-B1 PORPHYRINS AND MEDICAMENTS FOR CANCER TREATMENT SCOTIA HOLDINGS PLC (GB) 1993-05-05 — — EP claimed
US-7375215-B2 tetrakis(hydroxyphenyl)chlorin, bacteriochlorin or isobacteriochlorin, derivatised at one or more of the hydroxy groups by addition reaction with a diisocyanate, diisothiocyanate or isocyanate; photodynamic therapy of cancerous and other diseased tissues BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2008-05-20 — — US disclosed
US-20060040912-A1 Compounds for pdt BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2006-02-23 — — US disclosed
EP-1263761-B1 COMPOUNDS FOR PDT BIOLITEC PHARMA MARKETING LTD (MY) 2004-12-01 — — EP disclosed
EP-0337601-B1 PORPHYRINS AND MEDICAMENTS FOR CANCER TREATMENT SCOTIA HOLDINGS PLC (GB) 1993-05-05 — — EP disclosed
US-5162519-A Porphyrins and cancer treatment EFAMOL HOLDINGS PLC (GB) 1992-11-10 — — US disclosed
US-4992257-A Dihydroporphyrins and method of treating tumors EFAMOL HOLDINGS PLC (GB) 1991-02-12 — — US disclosed
EP-0337601-A1 Porphyrins and medicaments for cancer treatment SCOTIA HOLDINGS PLC (GB) 1989-10-18 — — EP 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-20060040912-A1 Compounds for pdt PPOX, DHPS, HMBS CHRNB4 4728/4885CHRNA3 4792/4885IDH1 21/4885

“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.

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