SCHEMBL7025660

SCHEMBL7025660

CC(=O)CC1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CA12 O43570 10/20 0.44
CA9 Q16790 10/20 0.44
CA1 P00915 9/20 0.44
CA2 P00918 8/20 0.44
CA4 P22748 4/20 0.43
CA6 P23280 4/20 0.43
CA5A P35218 4/20 0.43
CA7 P43166 4/20 0.43
CA13 Q8N1Q1 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CA5B Q9Y2D0 4/20 0.43
LMNA P02545 3/20 0.40
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9393500 0.87 TSHR (0.50) TSHRLMNAKMT2AALDH1A1
SCHEMBL18343982 0.87 TSHR (0.50) TSHRLMNAKMT2AALDH1A1
SCHEMBL2454844 0.86 TSHR (0.52) TSHRCA12CA1CA2CA4
SCHEMBL2454848 0.86 TSHR (0.52) TSHRCA12CA1CA2CA4
SCHEMBL14278404 0.86 TSHR (0.52) TSHRCA12CA1CA2CA4
SCHEMBL21753464 0.85 TSHR (0.51) TSHRCA12CA9CA1CA2
SCHEMBL6303221 0.85 TSHR (0.71) TSHRCA12CA9CA1CA2
SCHEMBL6297105 0.85 TSHR (0.48) TSHRCA12CA9CA1CA2
SCHEMBL14740699 0.83 TSHR (0.49) TSHRCA12CA9CA1CA2
SCHEMBL4956715 0.82 TSHR (0.46) TSHRCA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176363-A1 Novel compounds and methods PHARMAXIS PTY LTD. (AU) 2003-09-18 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-20030176363-A1 Novel compounds and methods NFATC1, CD4, CCR5 TSHR 4524/4885CA12 3956/4885CA9 3917/4885

“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.