SCHEMBL7307668

SCHEMBL7307668

CCCOc1ccc(O)c(OCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL14930188 0.92 LTA4H (0.52) LTA4HKMT2AMEN1CA12CA1
SCHEMBL13350390 0.89 CES2 (0.54) LTA4HKDM4EPOLBGAACES2
SCHEMBL17131594 0.89 BCHE (0.48) LTA4HKMT2AMEN1CA12CA1
SCHEMBL9489289 0.89 NR5A1 (0.58) LTA4HKMT2AMEN1ALDH1A1TP53
SCHEMBL11758938 0.87 NR5A1 (0.61) LTA4HTP53SMPD1NR5A1
SCHEMBL2091707 0.87 NR5A1 (0.61) LTA4HTP53SMPD1NR5A1
SCHEMBL4960049 0.85 LTA4H (0.56) LTA4HPTGS1PTGS2KMT2AMEN1
SCHEMBL1050330 0.84 LTA4H (0.60) LTA4HPTGS1PTGS2KMT2AMEN1
SCHEMBL4392029 0.82 ESR1 (0.48) PTGS1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL2442358 0.82 MAOB (0.55) LTA4HKMT2AMEN1CA12CA1

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
CN-119504380-A Liquid stabilizer for nitrate compound and preparation method thereof 南京理工大学 2025-02-25 CN disclosed
US-20220144794-A1 CHRYSOPHAENTIN ANALOGS AND USE THEREOF VANDERBILT UNIVERSITY 2022-05-12 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 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-20220144794-A1 CHRYSOPHAENTIN ANALOGS AND USE THEREOF CYP51A1, NRDC, NISCH LTA4H 1676/4885PTGS1 3089/4885PTGS2 3761/4885

“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.