SCHEMBL19010044

SCHEMBL19010044

COc1ccc([C@@H]2CCCC(=O)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ESR2 Q92731 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 1/20 0.42
MAP2K3 P46734 1/20 0.41
THRB P10828 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL716437 1.00 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL27471526 0.90 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL2044509 0.90 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL2044506 0.90 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL22204489 0.83 PDE4A (0.48) ALDH1A1KMT2AMEN1MAPK1PDE4A
SCHEMBL20801909 0.83 PDE4A (0.48) ALDH1A1KMT2AMEN1MAPK1PDE4A
SCHEMBL20801960 0.83 PDE4A (0.48) ALDH1A1KMT2AMEN1MAPK1PDE4A
SCHEMBL428339 0.82 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL20603030 0.81 ESR2 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1PDE4A
SCHEMBL20620789 0.81 ESR2 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1PDE4A

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-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
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 (1 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 ALDH1A1 861/4885KMT2A 2292/4885SMN1; SMN2 4426/4885

“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.