SCHEMBL14701508

SCHEMBL14701508

CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(CCCCCC)c3nc(c(CCCCCC)c4ccc1[nH]4)[C@@H](O)[C@H]3O)C=C2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KCNH2 Q12809 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ GPR84 Q9NQS5 4/20 0.33
▸ S1PR4 O95977 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ TERT O14746 1/20 0.32

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
SCHEMBL433614 0.89 KCNH2 (0.42) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8601755 0.89 KCNH2 (0.42) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9438134 0.89 KCNH2 (0.42) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL15468129 0.89 KCNH2 (0.42) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1194293 0.87 KCNH2 (0.39) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL12392113 0.84 TOP1 (0.58) ALDH1A1TERT
SCHEMBL12392118 0.84 TOP1 (0.52) ALDH1A1
SCHEMBL12451503 0.84 TOP1 (0.52) ALDH1A1
SCHEMBL12451909 0.84 TOP1 (0.58) ALDH1A1TERT
SCHEMBL6003452 0.83 KCNH2 (0.36) KDM4EALDH1A1HPGDHSD17B10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156849-B2 Application of β-functionalized dihydroxy-chlorins for PDT BIOLITEC PHARMA MARKETING LTD (MY) 2015-10-13 — — US disclosed
US-9156849-B2 Application of β-functionalized dihydroxy-chlorins for PDT BIOLITEC PHARMA MARKETING LTD (MY) 2015-10-13 — — US disclosed
US-20130041307-A1 APPLICATION OF BETA-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT CERAMOPTEC INDUSTRIES, INC. 2013-02-14 — — US disclosed
US-20130041307-A1 APPLICATION OF BETA-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT CERAMOPTEC INDUSTRIES, INC. 2013-02-14 — — 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-20130041307-A1 APPLICATION OF BETA-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT TK1, DHPS, DLD KDM4E 1701/4885ALDH1A1 1123/4885HPGD 1284/4885

“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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