SCHEMBL29616476

SCHEMBL29616476

CN(C)c1cccc(O[Zn](Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)(Oc2cccc(N(C)C)c2)Oc2cccc(N(C)C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
BCHE P06276 2/20 0.45
ACHE P22303 1/20 0.45
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HSD17B2 P37059 3/20 0.37
HSD17B1 P14061 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
NOTUM Q6P988 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL390876 0.80 ALDH1A1 (0.52) APPALDH1A1TSHRBCHEACHE
SCHEMBL30085363 0.80 ALDH1A1 (0.52) APPALDH1A1TSHRBCHEACHE
SCHEMBL29636366 0.78 ACHE (0.52) APPALDH1A1TSHRBCHEACHE
SCHEMBL820669 0.78 ACHE (0.52) APPALDH1A1TSHRBCHEACHE
SCHEMBL2538467 0.77 APP (0.49) APPALDH1A1TSHRBCHEACHE
SCHEMBL20627138 0.77 APP (0.53) APPALDH1A1TSHRBCHEACHE
SCHEMBL22754275 0.77 APP (0.49) APPALDH1A1TSHRBCHEACHE
SCHEMBL31231475 0.77 APP (0.49) APPALDH1A1TSHRBCHEACHE
Hydrochloric Acid SCHEMBL2861521 0.77 HSD17B2 (0.50) APPALDH1A1TSHRBCHEACHE
SCHEMBL3185124 0.76 BCHE (0.46) APPALDH1A1TSHRBCHEACHE

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-20230374043-A1 Hexadeca Ammonium-Modified Phthalocyanine and Preparation Method and Use Thereof as Photodynamic Drug FUZHOU UNIVERSITY (CN) 2023-11-23 US disclosed
WO-2022077812-A1 HEXADECYLAMMONIUM GROUP-MODIFIED PHTHALOCYANINE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF AS PHOTODYNAMIC DRUG 福州大学 2022-04-21 WO 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-20230374043-A1 Hexadeca Ammonium-Modified Phthalocyanine and Preparation Method and Use Thereof as Photodynamic Drug SLC30A7, SLC7A1, PTMA APP 666/4885ALDH1A1 1946/4885TSHR 3112/4885

“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.