SCHEMBL17289269

SCHEMBL17289269

O=C(OCCO)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SLC7A5 Q01650 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL3960907 0.88 KMT2A (0.62) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL30141105 0.88 KMT2A (0.62) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL4403626 0.84 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL10861035 0.84 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL4279981 0.82 HSD17B10 (0.61) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL3245222 0.81 SMPD1 (0.67) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL10861040 0.81 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL2087641 0.81 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL873776 0.81 SMPD1 (0.70) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL29556736 0.81 MRGPRX4 (0.62) NPC1RAB9ASMN1; SMN2HPGDSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387596-A1 BIODEGRADABLE HYDROGEL AND METHODS FOR USE THEREOF INSTITUTE OF BIOENGINEERING AND NANOTECHNOLOGY (SG) 2022-12-08 US disclosed
US-11478550-B2 Biodegradable hydrogel and methods for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-10-25 US disclosed
US-20200155686-A1 BIODEGRADABLE HYDROGEL AND METHODS FOR USE THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-05-21 US disclosed
WO-2019059850-A1 NANOPARTICLE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-28 WO disclosed
US-20170266224-A1 CATIONIC POLYAMINES FOR TREATMENT OF VIRUSES INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-09-21 US disclosed
US-20170266224-A1 CATIONIC POLYAMINES FOR TREATMENT OF VIRUSES INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-09-21 US disclosed
US-9682100-B2 Cationic polyamines for treatment of viruses INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-06-20 US disclosed
US-9682100-B2 Cationic polyamines for treatment of viruses INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-06-20 US disclosed
US-20160213707-A1 CATIONIC POLYAMINES FOR TREATMENT OF VIRUSES INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-07-28 US disclosed
US-20160213707-A1 CATIONIC POLYAMINES FOR TREATMENT OF VIRUSES INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-07-28 US disclosed
US-9399044-B2 Antimicrobial cationic polyamines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-07-26 US disclosed
US-20150342984-A1 ANTIMICROBIAL CATIONIC POLYAMINES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-03 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 (6 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-20200155686-A1 BIODEGRADABLE HYDROGEL AND METHODS FOR USE THEREOF HPGDS, TBCA, HLCS NPC1 2421/4885RAB9A 3551/4885SMN1; SMN2 4181/4885
US-11478550-B2 Biodegradable hydrogel and methods for use thereof HPGDS, TBCA, HLCS NPC1 2421/4885RAB9A 3551/4885SMN1; SMN2 4181/4885
US-20160213707-A1 CATIONIC POLYAMINES FOR TREATMENT OF VIRUSES PARG, PIGO, M6PR NPC1 1324/4885RAB9A 3187/4885SMN1; SMN2 908/4885
US-20220387596-A1 BIODEGRADABLE HYDROGEL AND METHODS FOR USE THEREOF HPGDS, TBCA, HLCS NPC1 2421/4885RAB9A 3551/4885SMN1; SMN2 4181/4885
US-20150342984-A1 ANTIMICROBIAL CATIONIC POLYAMINES ARG1, PARG, ARG2 NPC1 2187/4885RAB9A 3141/4885SMN1; SMN2 3525/4885
US-20170266224-A1 CATIONIC POLYAMINES FOR TREATMENT OF VIRUSES PARG, PIGO, M6PR NPC1 1324/4885RAB9A 3187/4885SMN1; SMN2 908/4885

“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.