SCHEMBL6736992

SCHEMBL6736992

CCc1cc(C=O)c(OC)c(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ERN1 O75460 5/20 0.36
TRPV1 Q8NER1 1/20 0.34
HTT P42858 1/20 0.34
TUBB1 Q9H4B7 2/20 0.34
DRD2 P14416 1/20 0.34
TSHR P16473 2/20 0.33
HSD17B1 P14061 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
MCL1 Q07820 1/20 0.33
TRIM24 O15164 1/20 0.33

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
SCHEMBL10119938 0.83 PTGS2 (0.52) PTGS2ALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL669372 0.77 PTGS2 (0.66) PTGS2ALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL19655521 0.72 POLB (0.40) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL10454702 0.72 HSD17B1 (0.50) ALDH1A1HSD17B1CYP3A4
SCHEMBL5644612 0.69 LMNA (0.69) LMNAMAPTERN1TLR2TLR1
SCHEMBL27167371 0.69 PTGS2 (0.48) PTGS2ALDH1A1LMNAMAPTTRPV1
SCHEMBL14542987 0.69 ERN1 (0.37) LMNAMAPTCA1CA2ERN1
SCHEMBL21017669 0.68 CA1 (0.49) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL8433130 0.68 ERN1 (0.58) LMNAMAPTERN1TYR
SCHEMBL23796674 0.68 ERN1 (0.45) ALDH1A1CYP1A2CYP2C19CA1CA2

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-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 PTGS2 3056/4885ALDH1A1 3961/4885CYP1A2 2037/4885

“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.