SCHEMBL18980656

SCHEMBL18980656

COC(=O)c1cccc(C2CCCC(=O)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL18980654 1.00 KMO (0.47) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL3664264 0.86 ALOX5 (0.46) KMOCYP4F2CYP4A11ALDH1A1ATM
SCHEMBL14562482 0.86 GAA (0.47) KMOCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL8414748 0.84 KMO (0.64) KMOCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL26154174 0.84 KMO (0.59) KMOCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL1787841 0.83 KMO (0.67) KMOPDE4DCYP4F2CYP4A11ALDH1A1
SCHEMBL3933287 0.81 KMO (0.54) KMOPDE4DCYP4F2CYP4A11ALDH1A1
SCHEMBL25285478 0.78 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7053063 0.78 HTR2C (0.54) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL30488766 0.77 DRD2 (0.51) KMODRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis THE UNIVERSITY OF CHICAGO (US) 2018-11-06 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 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 (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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY KMO 36/4885PDE4A 4765/4885PDE4B 4618/4885
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis POF1B, FGFR1, COASY KMO 36/4885PDE4A 4765/4885PDE4B 4618/4885

“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.