SCHEMBL18980600

SCHEMBL18980600

CCC(=O)C[C@H](C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
ACHE P22303 1/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 2/20 0.47
BCHE P06276 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
TRPA1 O75762 3/20 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
SCHEMBL6178878 1.00 ALDH1A1 (0.50) ALDH1A1LMNAACHEFFAR1MAPT
SCHEMBL11399936 0.90 ACHE (0.60) ALDH1A1ACHEFFAR1HPGDCYP3A4
SCHEMBL7398650 0.90 ACHE (0.60) ALDH1A1ACHEFFAR1HPGDCYP3A4
SCHEMBL13963557 0.85 FFAR1 (0.47) ALDH1A1LMNAACHEFFAR1HPGD
SCHEMBL4445084 0.84 TAAR1 (0.52) ALDH1A1ACHEFFAR1HPGDCYP3A4
SCHEMBL3413768 0.83 LMNA (0.55) ALDH1A1LMNAFFAR1MAPTHPGD
SCHEMBL1053042 0.82 ACHE (0.53) ALDH1A1LMNAACHEFFAR1MAPT
SCHEMBL10548748 0.82 CPA1 (0.50) ALDH1A1ACHEFFAR1HPGDCYP3A4
SCHEMBL11154821 0.82 FFAR1 (0.53) ALDH1A1ACHEFFAR1HPGDCYP3A4
SCHEMBL14195420 0.82 LMNA (0.51) ALDH1A1LMNAMAPTPOLB

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-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
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 (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 ALDH1A1 861/4885LMNA 3689/4885ACHE 2006/4885
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis POF1B, FGFR1, COASY ALDH1A1 861/4885LMNA 3689/4885ACHE 2006/4885

“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.