SCHEMBL18123770

SCHEMBL18123770

COC(C)(OC)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
STAT3 P40763 3/20 0.50
RAB9A P51151 5/20 0.44
NPC1 O15118 5/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
PLA2G1B P04054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CDC25B P30305 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
CDC25A P30304 3/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL22325652 0.81 ALDH1A1 (0.53) ALDH1A1STAT3RAB9ANPC1CASP3
Avicequinone C SCHEMBL30589989 0.81 STAT3 (0.57) ALDH1A1STAT3RAB9ANPC1CASP3
SCHEMBL6577994 0.71 STAT3 (0.61) ALDH1A1STAT3RAB9ANPC1CASP3
SCHEMBL29365382 0.68 STAT3 (0.69) ALDH1A1STAT3RAB9ANPC1CASP3
SCHEMBL1887185 0.68 STAT3 (0.69) ALDH1A1STAT3RAB9ANPC1CASP3
SCHEMBL30422 0.68 STAT3 (0.57) ALDH1A1STAT3RAB9ANPC1CASP3
SCHEMBL22263390 0.68 ALDH1A1 (0.46) ALDH1A1STAT3RAB9ANPC1CASP3
SCHEMBL16167166 0.67 STAT3 (0.56) ALDH1A1STAT3RAB9ANPC1PLA2G1B
SCHEMBL28705 0.67 STAT3 (0.56) ALDH1A1STAT3RAB9ANPC1PLA2G1B
SCHEMBL22325627 0.67 ALDH1A1 (0.56) ALDH1A1STAT3RAB9ANPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 US disclosed
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2019-03-21 US disclosed
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
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 US disclosed
WO-2016157052-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2016-10-06 WO 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 (5 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-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 ALDH1A1 716/4885STAT3 2147/4885RAB9A 1340/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B ALDH1A1 654/4885STAT3 1117/4885RAB9A 1869/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 ALDH1A1 716/4885STAT3 2147/4885RAB9A 1340/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 ALDH1A1 716/4885STAT3 2147/4885RAB9A 1340/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 ALDH1A1 716/4885STAT3 2147/4885RAB9A 1340/4885

“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.