SCHEMBL517387

SCHEMBL517387

CCCCN(C(=O)c1ccc(C2OCC3(CO2)COC(c2ccc(C(=O)N(CCCC)c4ccccc4)cc2)OC3)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
ADRB2 P07550 1/20 0.52
ADRA2C P18825 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
JAK2 O60674 1/20 0.41
PAX8 Q06710 1/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.40

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
SCHEMBL517287 0.79 MEN1 (0.56) ALDH1A1MAPTMEN1KMT2ACYP2C19
SCHEMBL9001628 0.78 ADRA2C (0.71) ALDH1A1MAPTADRB2ADRA2CMEN1
SCHEMBL518447 0.76 HSD11B1 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL8959907 0.76 ALDH1A1 (0.64) ALDH1A1MAPTADRB2ADRA2CMEN1
SCHEMBL11506841 0.75 ALDH1A1 (0.63) ALDH1A1MAPTADRB2ADRA2CMEN1
SCHEMBL15291404 0.73 ADRA2C (0.67) ALDH1A1MAPTADRB2ADRA2CMEN1
SCHEMBL516878 0.71 HPGD (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11506563 0.70 ADRA2C (0.58) ALDH1A1MAPTADRB2ADRA2CMEN1
SCHEMBL9001626 0.70 ADRA2C (0.65) ALDH1A1MAPTADRB2ADRA2CMEN1
SCHEMBL517016 0.69 L3MBTL1 (0.57) ALDH1A1MAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed
US-9023921-B2 Method for inhibiting crystal growth rate of amide compound and method for producing molded article of polyolefin-based resin NEW JAPAN CHEMICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-8592071-B2 Laminated porous film and separator for battery MITSUBISHI PLASTICS, INC. (JP) 2013-11-26 US disclosed
EP-2431415-A1 METHOD FOR CONTROLLING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN New Japan Chemical Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120035304-A1 METHOD FOR INHIBITING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-09 US disclosed
US-20120028006-A1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2392458-A2 POLYPROPYLENE RESIN MOLDED ARTICLE New Japan Chemical Co., Ltd. (JP) 2011-12-07 EP disclosed
US-20110212358-A1 LAMINATED POROUS FILM AND SEPARATOR FOR BATTERY MITSUBISHI PLASTICS, INC. (JP) 2011-09-01 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 (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-20120035304-A1 METHOD FOR INHIBITING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN MNAT1, RFT1, RTF1 ALDH1A1 2124/4885MAPT 206/4885ADRB2 4585/4885

“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.