SCHEMBL1665842

SCHEMBL1665842

O=C(O)C1=C(C(=O)O)C2CCC1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 2/20 0.36
LMNA P02545 2/20 0.36
PMP22 Q01453 2/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 2/20 0.36
THPO P40225 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TFPI2 P48307 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A3 Q01959 1/20 0.34
MAPK1 P28482 2/20 0.32
CYP2C19 P33261 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL31197030 0.69 SLC6A3 (0.57) SLC6A3NPSR1
SCHEMBL16577394 0.65 HCAR2 (0.38) NPC1RAB9A
SCHEMBL898055 0.61 SUCNR1 (0.40) GMNNLMNAPMP22TP53NFKB1
SCHEMBL7860288 0.61 AKR1C3 (0.37) LMNAPMP22TSHRSLC6A3CYP2C19
SCHEMBL21987140 0.61 TP53 (0.48) GMNNLMNAPMP22TP53NFKB1
SCHEMBL275220 0.61 AKR1C3 (0.37) LMNAPMP22TSHRSLC6A3CYP2C19
SCHEMBL9601537 0.61 TP53 (0.48) GMNNLMNAPMP22TP53NFKB1
SCHEMBL10764783 0.61 AKR1C3 (0.37) LMNAPMP22TSHRSLC6A3CYP2C19
SCHEMBL11883934 0.59 SUCNR1 (0.38) GMNNLMNAPMP22TP53NFKB1
SCHEMBL4735613 0.59 SUCNR1 (0.32) TP53TSHRSUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409669-B C-5 alkynyl substituted cantharidin derivative on oxanorbornene ring and preparation method and application thereof 云南民族大学 2023-06-23 CN disclosed
WO-2011071674-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-06-16 WO disclosed
EP-2307476-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-04-13 EP disclosed
US-20100113664-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2010-05-06 US disclosed
WO-2009152068-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2009-12-17 WO disclosed
US-20090312470-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2009-12-17 US disclosed
EP-0778731-B1 IONENE POLYMERS CONTAINING BIOLOGICALLY-ACTIVE ANIONS BUCKMAN LABOR INC (US) 2000-03-29 EP 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-20090312470-A1 Asymmetric Cyclic Diester Compounds DDT, PCNA, AADAC GMNN 1447/4885LMNA 3399/4885PMP22 4337/4885

“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.