SCHEMBL18123768

SCHEMBL18123768

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.41
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 2/20 0.35
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
GPR35 Q9HC97 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
S1PR5 Q9H228 2/20 0.31

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
Hydrochloric Acid SCHEMBL29880227 0.99 LTA4H (0.40) LTA4HS1PR1S1PR3BCHEACHE
SCHEMBL18123705 0.93 LTA4H (0.39) LTA4HS1PR1S1PR3BCHEACHE
Hydrochloric Acid SCHEMBL18116064 0.93 LTA4H (0.39) LTA4HS1PR1S1PR3BCHEACHE
SCHEMBL20089225 0.84 TSHR (0.40) KDM4EMAPK1
SCHEMBL20816203 0.84 NCEH1 (0.38) LTA4HKDM4E
SCHEMBL18123712 0.83 MTNR1A (0.33) KDM4EMAPK1GPR35PDE4APDE4B
SCHEMBL29879818 0.82 NCEH1 (0.34) LTA4HACHEKDM4EPDE4APDE4B
SCHEMBL18123700 0.82 NCEH1 (0.34) LTA4HACHEKDM4EPDE4APDE4B
Hydrochloric Acid SCHEMBL22772349 0.81 NCEH1 (0.34) LTA4HACHEKDM4EPDE4APDE4B
Hydrochloric Acid SCHEMBL20816193 0.81 NCEH1 (0.34) LTA4HACHEKDM4EPDE4APDE4B

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 LTA4H 3111/4885S1PR1 1883/4885S1PR3 1016/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B LTA4H 2421/4885S1PR1 1295/4885S1PR3 839/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 LTA4H 3111/4885S1PR1 1883/4885S1PR3 1016/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 LTA4H 3111/4885S1PR1 1883/4885S1PR3 1016/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 LTA4H 3111/4885S1PR1 1883/4885S1PR3 1016/4885

“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.