SCHEMBL20004019

SCHEMBL20004019

CCc1ccc2cc(CC(C)c3ccc4cc[nH]c4c3)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ CYP19A1 P11511 4/20 0.37
▸ BACE1 P56817 5/20 0.35
▸ TSHR P16473 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ AHR P35869 2/20 0.32
▸ CMA1 P23946 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
SCHEMBL19308895 0.87 EIF4A3 (0.43) ACACBCYP19A1BACE1TSHRPDE2A
SCHEMBL21524642 0.81 EIF4A3 (0.42) CYP19A1AHR
SCHEMBL19954972 0.80 KDM4E (0.36) ACACBCYP19A1BACE1TSHRPDE2A
SCHEMBL20004036 0.79 LOXL2 (0.47) DAOACACBCYP19A1TSHRPDE2A
SCHEMBL21323218 0.78 DAO (0.40) DAOACACBCYP19A1BACE1TSHR
SCHEMBL31271 0.77 AHR (0.50) DAOBACE1MEN1POLBMAPK1
SCHEMBL19440374 0.74 KIF11 (0.35) ACACBCYP19A1BACE1PDE2AMEN1
SCHEMBL3793164 0.74 MEN1 (0.44) CYP19A1BACE1TSHRPDE2AOPRM1
SCHEMBL25085612 0.69 BACE1 (0.42) ACACBCYP19A1BACE1PDE2AMEN1
SCHEMBL13230520 0.69 ACACB (0.46) ACACBBACE1MEN1POLBMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 — — 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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS DAO 2609/4885ACACB 3857/4885CYP19A1 4696/4885

“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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