SCHEMBL6069650

SCHEMBL6069650

CCC1(C(=O)O)CO1.c1cc2cc-2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.38
KMO O15229 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
PTPN1 P18031 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MGLL Q99685 1/20 0.36
NQO2 P16083 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
GFER P55789 1/20 0.35
HDAC1 Q13547 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PTGS2 P35354 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL1711972 0.81
Acetic Acid SCHEMBL734741 0.72 KMO (0.56) BCL2KMOPTPN1MGLLRXRA
Benzene SCHEMBL28772928 0.72 KMO (0.56) BCL2KMOPTPN1MGLLRXRA
Butanone SCHEMBL27536691 0.71 ALDH1A1 (0.50) BCL2KMOPTPN1RXRARXRB
Propionic Acid SCHEMBL585470 0.71 FFAR3 (0.50) BCL2KMOPTPN1MGLLRXRA
Acetone SCHEMBL18784619 0.70 KMO (0.52) KMOPTPN1MGLLRXRARXRB
Pyruvate SCHEMBL27990027 0.68 KMO (0.52) KMOPTPN1MGLLSMN1; SMN2HDAC2
SCHEMBL27493420 0.68 KMO (0.56) KMOPTPN1MGLLRXRARXRB
Bicarbonate SCHEMBL11165825 0.67 KMO (0.61) KMOPTPN1MGLLRXRARXRB
SCHEMBL10334535 0.67 ALOX15 (0.42) PPARGPPARAKDM4ESMN1; SMN2HSD17B10

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-7056947-B2 For inhibiting (cysteine) proteases/caspases; for treatment of viral infections, stroke, neurodegenerative disease, and inflammatory diseases GEORGIA TECH RESEARCH CORP. (US) 2006-06-06 US disclosed
US-20040048327-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-11 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-20040048327-A1 Aza-peptide epoxides ANPEP, ENPEP, TMPRSS15 BCL2 1910/4885KMO 2210/4885RARA 1821/4885

“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.