SCHEMBL20094993

SCHEMBL20094993

CC(=O)c1cc2c(OC(=O)NCCNCC(=O)O)c3ccccc3c(OC(=O)NCCNCC(O)O)c2o1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL22788593 1.00 NCEH1 (0.31) NCEH1KDM4EADRB2ADRB1ADRB3
SCHEMBL18123700 0.93 NCEH1 (0.34) NCEH1KDM4ECA1CA2MAPT
SCHEMBL29879818 0.93 NCEH1 (0.34) NCEH1KDM4ECA1CA2MAPT
Hydrochloric Acid SCHEMBL20816193 0.92 NCEH1 (0.34) NCEH1KDM4ECA1CA2MAPT
Hydrochloric Acid SCHEMBL22772349 0.92 NCEH1 (0.34) NCEH1KDM4ECA1CA2MAPT
Hydrochloric Acid SCHEMBL20816206 0.91 NCEH1 (0.33) NCEH1KDM4ECA1CA2MAPT
SCHEMBL20816205 0.90 CA1 (0.36) NCEH1KDM4ECA1CA2MAPT
Sulfuric Acid SCHEMBL29880179 0.89 CA1 (0.35) NCEH1KDM4ECA1CA2MAPT
Water SCHEMBL29880008 0.89 CA1 (0.35) NCEH1KDM4ECA1CA2MAPT
SCHEMBL22536801 0.88 CA1 (0.36) NCEH1KDM4ECA1CA2MAPT

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-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2019-01-22 — — US disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 — — 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-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B NCEH1 1245/4885KDM4E 3369/4885ADRB2 146/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 NCEH1 966/4885KDM4E 3479/4885ADRB2 253/4885

“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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