SCHEMBL20906815

SCHEMBL20906815

COc1ccc(CNCC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(C)CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)Cc2ccc3c(c2)OCO3)Cc2ccccc2)CC(C)C)[C@H](C)c2ccccc2)Cc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.55
▸ VIM P08670 1/20 0.44
▸ HTR2A P28223 6/20 0.38
▸ HTR2B P41595 6/20 0.38
▸ HTR2C P28335 5/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 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
SCHEMBL20906849 0.97 CREBBP (0.51) CREBBPVIMHTR2AHTR2BHTR2C
SCHEMBL20906869 0.92 CREBBP (0.49) CREBBPVIMHTR2AHTR2BHTR2C
SCHEMBL20906872 0.88 CREBBP (0.42) CREBBPHTR2AHTR2BHTR2CADRB1
SCHEMBL13671131 0.83 CREBBP (0.51) CREBBPVIMMAPTALDH1A1LMNA
SCHEMBL12754797 0.82 CREBBP (0.50) CREBBPVIMMAPTALDH1A1LMNA
SCHEMBL17424484 0.81 CREBBP (0.49) CREBBPVIMMAPTALDH1A1LMNA
SCHEMBL20906813 0.81 CREBBP (0.47) CREBBPVIMHTR2AHTR2BHTR2C
SCHEMBL17424488 0.80 CREBBP (0.47) CREBBPVIMOPRM1OPRK1MAPT
SCHEMBL21565404 0.79 CREBBP (0.50) CREBBPVIMMAPTALDH1A1BMP1
SCHEMBL20906817 0.79 CREBBP (0.45) CREBBPVIMCTSDALDH1A1TRPM8

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-10458995-B2 Combinatorial synthesis and biomarker development TEN30 BIOSCIENCES, INC. 2019-10-29 — — US disclosed
US-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT TEN30 BIOSCIENCES, INC. 2019-04-18 — — 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-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT APP, PSEN2, PSEN1 CREBBP 167/4885VIM 2118/4885HTR2A 3624/4885
US-10458995-B2 Combinatorial synthesis and biomarker development APP, PSEN2, PSEN1 CREBBP 165/4885VIM 2070/4885HTR2A 3620/4885

“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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