SCHEMBL19296891

SCHEMBL19296891

COC(=O)NCCCCCCNc1c(F)c(F)c(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ CYCS P99999 4/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ TOP1 P11387 3/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32

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
SCHEMBL19296931 0.90 ABCG2 (0.36) ABCG2DHODHCYCSESR1ESR2
SCHEMBL19289802 0.86 HSP90AA1 (0.36) DHODHTOP1ENPP2
SCHEMBL19854867 0.84 TERT (0.38) DHODHCYCSTOP1
SCHEMBL19289584 0.84 ESR1 (0.34) DHODHCYCSESR1ESR2
SCHEMBL19278954 0.84 ESR1 (0.34) DHODHCYCSESR1ESR2
SCHEMBL19278953 0.84 ESR1 (0.34) DHODHCYCSESR1ESR2
SCHEMBL31310041 0.84 ESR1 (0.34) DHODHCYCSESR1ESR2
SCHEMBL19289582 0.83 DHODH (0.33) DHODHCYCSTOP1ENPP2
SCHEMBL19296902 0.81 DHODH (0.36) DHODHCYCSTOP1ENPP2
SCHEMBL19278970 0.81 HSP90AA1 (0.36) DHODHTOP1ENPP2

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-10738059-B2 Conjugates of porphyrinoid photosensitizers and glycerol-based polymers for photodynamic therapy BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) 2020-08-11 — — US disclosed
US-20170247384-A1 CONJUGATES OF PORPHYRINOID PHOTOSENSITIZERS AND GLYCEROL-BASED POLYMERS FOR PHOTODYNAMIC THERAPY BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) 2017-08-31 — — 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 (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-10738059-B2 Conjugates of porphyrinoid photosensitizers and glycerol-based polymers for photodynamic therapy FPGS, PPOX, UROD ABCG2 801/4885DHODH 191/4885CYCS 2671/4885
US-20170247384-A1 CONJUGATES OF PORPHYRINOID PHOTOSENSITIZERS AND GLYCEROL-BASED POLYMERS FOR PHOTODYNAMIC THERAPY FPGS, PPOX, UROD ABCG2 801/4885DHODH 191/4885CYCS 2671/4885

“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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