SCHEMBL14701513

SCHEMBL14701513

COc1cccc(-c2c3nc(c(-c4cccc(C)c4)c4ccc([nH]4)c(-c4cccc(C)c4)c4nc(c(-c5cccc(OC)c5)c5ccc2[nH]5)C(=O)C4=O)C=C3)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 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
▸ PIN1 Q13526 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ACLY P53396 1/20 0.38
▸ TERT O14746 1/20 0.38

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
SCHEMBL14703823 0.94 ADORA2A (0.43) ABCG2HPGDADORA2AADORA1GRIN2D
SCHEMBL14701512 0.86 KDM4E (0.39) ALDH1A1ABCG2KDM4EHPGDPIN1
SCHEMBL30081962 0.85 TERT (0.49) ABCG2KDM4EMAPTTERT
SCHEMBL433807 0.85 TERT (0.49) ABCG2KDM4EMAPTTERT
SCHEMBL14701511 0.82 ABCG2 (0.39) ALDH1A1ABCG2KDM4EHPGDMAPT
SCHEMBL6514737 0.81 TERT (0.52) ABCG2TERT
SCHEMBL31456160 0.81 TERT (0.52) ABCG2TERT
SCHEMBL14703877 0.80 AURKA (0.38) ALDH1A1KDM4EHPGDGRIN2DGRIN3B
SCHEMBL17687648 0.78 TERT (0.43) ABCG2KDM4EMAPTTERT
SCHEMBL14701518 0.78 ABCG2 (0.36) ALDH1A1ABCG2KDM4EHPGDPOLB

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 ALDH1A1 1123/4885ABCG2 1881/4885KDM4E 1701/4885

“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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