SCHEMBL14701517

SCHEMBL14701517

C=CCC1(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)CC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CYCS P99999 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.33
▸ PIN1 Q13526 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
SCHEMBL14703826 0.95 KDM4E (0.38) KDM4EGFERMAPTCYP1A2CYP3A4
SCHEMBL14701518 0.84 ABCG2 (0.36) KDM4EMAPTSMN1; SMN2ABCG2HCRTR1
SCHEMBL17166280 0.84 GCGR (0.40) KDM4ESMN1; SMN2ABCG2TDP1CYCS
SCHEMBL14701519 0.84 GCGR (0.40) KDM4ESMN1; SMN2ABCG2TDP1CYCS
SCHEMBL14701515 0.82 ORAI1 (0.38) KDM4ECYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14703878 0.79 TERT (0.37) KDM4EMAPTCYP1A2CYP2C9ABCG2
SCHEMBL14703879 0.79 GCGR (0.41) ABCG2CYCSTERT
SCHEMBL17166508 0.79 GCGR (0.41) ABCG2CYCSTERT
SCHEMBL433807 0.78 TERT (0.49) KDM4EMAPTCYP1A2CYP2C9ABCG2
SCHEMBL30081962 0.78 TERT (0.49) KDM4EMAPTCYP1A2CYP2C9ABCG2

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 KDM4E 1701/4885GFER 2949/4885MAPT 3524/4885

“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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