SCHEMBL2364491

SCHEMBL2364491

O=C(CCCCCCCO)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
EPHX2 P34913 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
NOTUM Q6P988 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CDC25B P30305 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
SCHEMBL5793190 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL19828807 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL7096279 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL905734 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL10783106 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL6387083 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL7095353 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL15561335 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL574387 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL15561344 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183372-A1 METHOD FOR PREPARING 6-AMINOHEXYL LACTOSIDE-NOTA CONJUGATE Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C (TW) 2017-06-29 US disclosed
EP-2360150-A1 Method for the separation of intermediates which may be used for the preparation of escitalopram H. Lundbeck A/S (DK) 2011-08-24 EP disclosed
EP-1105399-B1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH SA (CH) 2004-04-14 EP disclosed
US-6706280-B2 DRUG TARGETING WITH LIPOSOMES AND MAGNETIC RESONANCE IMAGING CONTRAST MEDIA FOR DIAGNOSTICS BRACCO RESEARCH S.A. (CH) 2004-03-16 US disclosed
US-20020136760-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2002-09-26 US disclosed
EP-1105399-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2001-06-13 EP disclosed
WO-2000011007-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2000-03-02 WO disclosed
WO-1999054344-A1 COMPOSITION COMPRISING A COMBINATION OF DERIVATISED CATIONIC LIPOSOMES AND ACTIVE AGENT IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 1999-10-28 WO disclosed
US-3976660-A Pyrrolidine derivatives E. R. SQUIBB & SONS, INC. (US) 1976-08-24 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 (2 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-20170183372-A1 METHOD FOR PREPARING 6-AMINOHEXYL LACTOSIDE-NOTA CONJUGATE GNE, SI, B3GNT2 ALDH1A1 972/4885MAPK1 3922/4885L3MBTL1 814/4885
US-20020136760-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS PHOSPHO1, PLD1, SGMS1 ALDH1A1 1522/4885MAPK1 2643/4885L3MBTL1 1472/4885

“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.