SCHEMBL14701518

SCHEMBL14701518

C#CC1(O)c2nc(c(-c3cccc(OC)c3)c3ccc([nH]3)c(-c3cccc(C)c3)c3nc(c(-c4cccc(C)c4)c4ccc([nH]4)c2-c2cccc(C)c2)C=C3)C1(O)C#C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ TERT O14746 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ CYCS P99999 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ WEE1 P30291 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33

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
SCHEMBL14703878 0.95 TERT (0.37) ABCG2PIN1TERTCYCSMAPT
Phenol SCHEMBL28843014 0.90 CHEK1 (0.37) PIN1TP53CYCSMAPTCHEK1
SCHEMBL14701515 0.85 ORAI1 (0.38) ABCG2PIN1TERTACHETP53
SCHEMBL14701517 0.84 KDM4E (0.39) ABCG2PIN1TERTTP53TDP1
SCHEMBL17166280 0.81 GCGR (0.40) ABCG2TDP1CYCSNPC1RAB9A
SCHEMBL14701519 0.81 GCGR (0.40) ABCG2TDP1CYCSNPC1RAB9A
SCHEMBL30081962 0.80 TERT (0.49) ABCG2TERTMAPTNPC1RAB9A
SCHEMBL433807 0.80 TERT (0.49) ABCG2TERTMAPTNPC1RAB9A
SCHEMBL14703875 0.79 TERT (0.37) ABCG2PIN1TERTCYCSCHEK1
SCHEMBL14701511 0.79 ABCG2 (0.39) ABCG2PIN1TERTACHETP53

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-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

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 ABCG2 1881/4885PIN1 181/4885TERT 4150/4885

“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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