SCHEMBL7088043

SCHEMBL7088043

COc1c(C)cc(CO)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHFR P00374 1/20 0.41
ACHE P22303 2/20 0.39
SHBG P04278 1/20 0.38
PTGS2 P35354 1/20 0.37
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 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
SCHEMBL13535542 0.87 PTGS2 (0.50) MAPTALDH1A1ALOX15TSHRHSD17B10
SCHEMBL4166761 0.82 ALDH1A1 (0.42) MAPTALDH1A1DHFRNR3C1NR3C2
SCHEMBL4597547 0.81 DHFR (0.41) MAPTALDH1A1ALOX15TSHRDHFR
SCHEMBL13304653 0.80 DHFR (0.51) ALDH1A1DHFRACHESHBGPTGS2
SCHEMBL23543203 0.79 MAPT (0.37) MAPTALOX15TSHRHSD17B10ACHE
SCHEMBL9689485 0.79 TNKS2 (0.53) ALDH1A1DHFRPTGS2NR3C1NR3C2
SCHEMBL8377139 0.78 PTGS2 (0.60) ALDH1A1DHFRACHEPTGS2NR3C1
SCHEMBL26087618 0.77 MAPT (0.42) MAPTALDH1A1ALOX15TSHRHSD17B10
SCHEMBL21294089 0.77 SHBG (0.58) MAPTALDH1A1DHFRSHBGPDE4A
SCHEMBL9689627 0.77 TNKS2 (0.47) MAPTALDH1A1ALOX15DHFRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838913-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR MabPlex International Co., Ltd. (CN) 2021-06-23 EP disclosed
WO-2021077317-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR 烟台迈百瑞国际生物医药股份有限公司 2021-04-29 WO disclosed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 MAPT 4666/4885ALDH1A1 112/4885ALOX15 67/4885

“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.