SCHEMBL20734832

SCHEMBL20734832

O=C(NCCCCCCCCCCCNC(=O)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC3 O15379 8/20 0.50
HDAC4 P56524 8/20 0.50
HDAC1 Q13547 8/20 0.50
HDAC7 Q8WUI4 8/20 0.50
HDAC2 Q92769 8/20 0.50
HDAC10 Q969S8 8/20 0.50
HDAC11 Q96DB2 8/20 0.50
HDAC8 Q9BY41 8/20 0.50
HDAC6 Q9UBN7 8/20 0.50
HDAC9 Q9UKV0 8/20 0.50
HDAC5 Q9UQL6 8/20 0.50

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
SCHEMBL13356071 0.92 KDM4E (0.50) ALDH1A1KDM4EMEN1CYP1A2GLA
Hydrochloric Acid SCHEMBL3248771 0.91 KDM4E (0.49) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL5113391 0.89 TSHR (0.58) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL13873445 0.85 KDM4E (0.50) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL30617721 0.85 KDM4E (0.50) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL17323592 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL17703585 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL17323608 0.82 RAB9A (0.44) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL20734831 0.82 SMN1; SMN2 (0.57) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL23639562 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1CYP1A2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 4608/4885KDM4E 1270/4885MEN1 1172/4885
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 ALDH1A1 4608/4885KDM4E 1270/4885MEN1 1172/4885

“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.