SCHEMBL14115545

SCHEMBL14115545

CC/N=c1\ccc2c(-c3c(Cl)c(C(=O)NCC(=O)NCc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc(Cl)c3C(=O)O)c3ccc(N(C)C)cc3oc-2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.48
▸ CA9 Q16790 5/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ USP2 O75604 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC5A2 P31639 3/20 0.41
▸ OPRD1 P41143 4/20 0.41
▸ ALB P02768 1/20 0.39
▸ CA7 P43166 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
SCHEMBL14115547 0.96 ESR1 (0.43) ESR1CA9CA1CA2CA12
SCHEMBL13711037 0.96 ESR1 (0.47) ESR1CA9CA1CA2CA12
SCHEMBL14115541 0.95 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL14415022 0.94 ESR1 (0.47) ESR1CA9CA1CA2CA12
SCHEMBL14115551 0.92 DNASE1L3 (0.43) ESR1CA9CA1CA2CA12
SCHEMBL13024597 0.91 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL10293917 0.91 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL13024595 0.90 ESR1 (0.48) ESR1CA9CA1CA2CA12
SCHEMBL14415030 0.90 ESR1 (0.47) ESR1CA9CA1CA2CA12
SCHEMBL14415018 0.90 ESR1 (0.47) ESR1CA9CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399854-B2 Regents labeled with energy transfer dyes APPLERA CORPORATION (US) 2008-07-15 — — US disclosed
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-12 — — US disclosed
US-7169939-B2 Energy transfer dyes with enhanced fluorescence APPLERA CORPORATION (US) 2007-01-30 — — 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-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES SOAT1, GFPT1, CBR3 ESR1 1296/4885CA9 4519/4885CA1 3834/4885

“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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