SCHEMBL20734830

SCHEMBL20734830

O=C(NCCOCCOCCOCCNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
HPGD P15428 3/20 0.69
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
NPSR1 Q6W5P4 1/20 0.61
PRSS1 P07477 1/20 0.61
CTSG P08311 1/20 0.61
CTRB1 P17538 1/20 0.61
CMA1 P23946 1/20 0.61
ALDH1A1 P00352 1/20 0.59
RECQL P46063 1/20 0.59
GAA P10253 1/20 0.59
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
EPHX2 P34913 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CA2 P00918 1/20 0.55
NAAA Q02083 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54

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
SCHEMBL25970084 0.98 SMN1; SMN2 (0.96) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL15577818 0.93 SMN1; SMN2 (0.87) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL30910449 0.93 SMN1; SMN2 (0.87) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL31746985 0.92 SMN1; SMN2 (0.84) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL28984149 0.92 SMN1; SMN2 (0.84) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL18671529 0.92 SMN1; SMN2 (0.84) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL18671548 0.92 SMN1; SMN2 (0.84) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL10064731 0.92 SMN1; SMN2 (0.84) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL16361209 0.92 SMN1; SMN2 (0.84) SMN1; SMN2HPGDNPC1RAB9ANPSR1
SCHEMBL3499586 0.91 SMN1; SMN2 (0.83) SMN1; SMN2HPGDNPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230260787-A1 COMPOSITION FOR FORMING PROTECTIVE FILM AGAINST ALKALINE AQUEOUS HYDROGEN PEROXIDE, SUBSTRATE FOR PRODUCING SEMICONDUCTOR APPARATUS, METHOD FOR FORMING PROTECTIVE FILM, AND METHOD FOR FORMING PATTERN SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-17 US disclosed
US-11311624-B2 Inhibitors of MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR and MEK/PI3K/mTOR biological pathways and methods for improving lymphatic uptake, bioavailability, and solubility of therapeutic compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-04-26 US disclosed
US-20200164081-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR AND MEK/PI3K/mTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-28 US disclosed
WO-2019032640-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/MTOR AND MEK/PI3K/MTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-14 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 (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-11311624-B2 Inhibitors of MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR and MEK/PI3K/mTOR biological pathways and methods for improving lymphatic uptake, bioavailability, and solubility of therapeutic compounds MTOR, JAK2, JAK1 SMN1; SMN2 2942/4885HPGD 1961/4885NPC1 1233/4885
US-20200164081-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR AND MEK/PI3K/mTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS MTOR, JAK2, JAK1 SMN1; SMN2 2942/4885HPGD 1961/4885NPC1 1233/4885

“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.