SCHEMBL6891189

SCHEMBL6891189

CC(C)(C)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
RXRA P19793 4/20 0.53
RXRB P28702 3/20 0.53
RXRG P48443 1/20 0.53
RARB P10826 5/20 0.51
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.48
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
SRD5A2 P31213 1/20 0.47
AURKA O14965 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL322440 0.94 CA1 (0.59) HSD17B10CA1CA2RXRARXRB
SCHEMBL30837254 0.85 MAPT (0.55) HSD17B10ALDH1A1KMT2AMEN1
SCHEMBL18865538 0.83 PGR (0.42) HSD17B10CA1CA2RARBKMT2A
SCHEMBL29385898 0.82 CA1 (0.59) HSD17B10CA1CA2RXRARXRB
SCHEMBL13266961 0.81 CA1 (0.58) CA1CA2ALDH1A1TSHRKMT2A
SCHEMBL3018669 0.81 RARB (0.54) HSD17B10CA1CA2RXRARXRB
SCHEMBL198046 0.81 RIPK1 (0.43) CA1CA2ALDH1A1TSHRKMT2A
SCHEMBL505538 0.81 AURKA (0.69) HSD17B10RXRARXRBRXRGALDH1A1
Benzoic Acid SCHEMBL27552887 0.80 CA1 (0.50) HSD17B10CA1CA2ALDH1A1TSHR
SCHEMBL27867240 0.80 CA1 (0.57) HSD17B10CA1CA2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2004003561-A9 PEPTIDE ROD AMPHIPHILES AND SELF-ASSEMBLY OF SAME UNIV NORTHWESTERN (US) 2004-08-12 WO disclosed
WO-2004003561-A1 PEPTIDE ROD AMPHIPHILES AND SELF-ASSEMBLY OF SAME NORTHWESTERN UNIVERSITY (US) 2004-01-08 WO 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HSD17B10 934/4885CA1 4310/4885CA2 3489/4885

“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.