SCHEMBL434101

SCHEMBL434101

CCCCCCC1=C2C=CC(=N2)C(CCCCCC)=C2C=CC(=N2)C(CCCCCC)=C2C=CC(=N2)C(CCCCCC)=C2C=CC1=N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.38
▸ ACHE P22303 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ALOX5 P09917 9/20 0.35
▸ MPEG1 Q2M385 7/20 0.35
▸ XIAP P98170 2/20 0.35
▸ GPR84 Q9NQS5 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL1194296 0.98 KCNH2 (0.35) KCNH2ACHEBACE1ALOX5MPEG1
SCHEMBL17419219 0.90 KCNH2 (0.33) KCNH2ACHEBACE1ALOX5MPEG1
SCHEMBL6004328 0.88 ALOX5 (0.33) KCNH2ALOX5MPEG1XIAPGPR84
SCHEMBL6003914 0.81 ALOX5 (0.31) ACHEBACE1ALOX5MPEG1XIAP
SCHEMBL5011897 0.80 KCNH2 (0.36) KCNH2GPR84
SCHEMBL17681578 0.79 CASP3 (0.42) ALDH1A1PTGESMAPTHPGD
SCHEMBL1772836 0.79 ALOX5 (0.30) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL2337738 0.77 GCGR (0.40) KCNH2ACHEALOX5KDM4EALDH1A1
SCHEMBL5601662 0.63 THRB (0.40) KCNH2ALOX5MPEG1XIAPGPR84
SCHEMBL31054446 0.58 KCNH2 (0.50) KCNH2ACHEGPR84KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459955-B1 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT BIOLITEC UNTERNEHMENSBERATUNGS II AG (AT) 2022-11-02 — — EP disclosed
EP-3459955-A1 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT biolitec Unternehmensbeteiligungs II AG (AT) 2019-03-27 — — EP disclosed
EP-2350058-B1 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) 2018-10-24 — — EP disclosed
EP-2870159-B1 APPLICATION OF ß-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) 2017-06-28 — — EP disclosed
US-9315510-B2 Method and application of unsymmetrically meso-substituted porphyrins and chlorins for PDT BIOLITEC PHARMA MARKETING LTD (MY) 2016-04-19 — — US disclosed
US-9156849-B2 Application of β-functionalized dihydroxy-chlorins for PDT BIOLITEC PHARMA MARKETING LTD (MY) 2015-10-13 — — US disclosed
EP-2870159-A2 APPLICATION OF ß-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT CeramOptec GmbH (DE) 2015-05-13 — — EP disclosed
US-20130041307-A1 APPLICATION OF BETA-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT CERAMOPTEC INDUSTRIES, INC. 2013-02-14 — — US disclosed
WO-2012012809-A2 APPLICATION OF β-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT CERAMOPTEC GMBH (DE) 2012-01-26 — — WO disclosed
US-20110206613-A1 METHOD AND APPLICATION OF UNSYMMETRICALLY meso-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) 2011-08-25 — — US disclosed
EP-2350058-A2 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT CeramOptec GmbH (DE) 2011-08-03 — — EP disclosed
WO-2010033678-A2 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT CERAMOPTEC INDUSTRIES, INC. (US) 2010-03-25 — — 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 (2 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-20110206613-A1 METHOD AND APPLICATION OF UNSYMMETRICALLY meso-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT PTDSS2, PTDSS1, DLST KCNH2 1786/4885ACHE 3323/4885BACE1 4437/4885
US-20130041307-A1 APPLICATION OF BETA-FUNCTIONALIZED DIHYDROXY-CHLORINS FOR PDT TK1, DHPS, DLD KCNH2 1082/4885ACHE 4203/4885BACE1 3414/4885

“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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