SCHEMBL14703874

SCHEMBL14703874

COc1cccc(-c2c3nc(c(-c4cccc(OC)c4)c4ccc([nH]4)c(-c4cccc(OC)c4)c4nc(c(-c5cccc(OC)c5)c5ccc2[nH]5)[C@@H](O)[C@H]4O)C=C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ VDR P11473 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ NR1I3 Q14994 1/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TOP1 P11387 1/20 0.39

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
SCHEMBL14701511 0.94 ABCG2 (0.39) TERTABCG2AURKAGRIN2DGRIN3B
SCHEMBL433807 0.89 TERT (0.49) TERTABCG2AURKANR1I2CYP1A2
SCHEMBL30081962 0.89 TERT (0.49) TERTABCG2AURKANR1I2CYP1A2
SCHEMBL12118902 0.83 TOP1 (0.42) TERTTOP1CYCS
SCHEMBL17687648 0.81 TERT (0.43) TERTABCG2AURKANR1I2CYP1A2
SCHEMBL14703823 0.80 ADORA2A (0.43) TERTABCG2GRIN2DGRIN3BGRIN1
SCHEMBL14703875 0.79 TERT (0.37) TERTABCG2AURKAGRIN2DGRIN3B
SCHEMBL17687652 0.77 STAT3 (0.57) TERTAURKANR1I2CYP1A2VDR
SCHEMBL13454448 0.77 TYR (0.42) —
SCHEMBL13469647 0.77 TYR (0.42) —

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 TERT 4150/4885ABCG2 1881/4885AURKA 396/4885

“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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