SCHEMBL5574833

SCHEMBL5574833

CCCCC(CC)CN(CCCN)CC(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.45
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
CA2 P00918 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DNM1 Q05193 6/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL1397305 0.96 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL28180396 0.93 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL4909269 0.90 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL4366899 0.88 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL20172104 0.85 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4376195 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL17165007 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL15418383 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL16232791 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL27892763 0.84 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRPLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233420-B2 Fine metal particles and fine metal oxide particles in dry powder form, and use thereof HARIMA CHEMICALS, INC. (JP) 2016-01-12 US claimed
US-20140178581-A1 FINE METAL PARTICLES AND FINE METAL OXIDE PARTICLES IN DRY POWDER FORM, AND USE THEREOF HARIMA CHEMICALS, INC. (JP) 2014-06-26 US claimed
US-8758475-B2 Fine metal particles and fine metal oxide particles in dry powder form, and use thereof HARIMA CHEMICALS, INC. (JP) 2014-06-24 US claimed
US-10829442-B2 Process for the preparation of carbamates TAMINCO BVBA (BE) 2020-11-10 US disclosed
US-20190169115-A1 IMPROVED PROCESS FOR THE PREPARATION OF CARBAMATES TAMINCO BVBA (BE) 2019-06-06 US disclosed
EP-3279185-B1 IMPROVED PROCESS FOR THE PREPARATION OF CARBAMATES TAMINCO BVBA (BE) 2018-11-14 EP disclosed
WO-2018024828-A1 IMPROVED PROCESS FOR THE PREPARATION OF CARBAMATES TAMINCO BVBA (BE) 2018-02-08 WO disclosed
EP-3279185-A1 IMPROVED PROCESS FOR THE PREPARATION OF CARBAMATES Taminco bvba (BE) 2018-02-07 EP disclosed
US-9233420-B2 Fine metal particles and fine metal oxide particles in dry powder form, and use thereof HARIMA CHEMICALS, INC. (JP) 2016-01-12 US disclosed
US-20140178581-A1 FINE METAL PARTICLES AND FINE METAL OXIDE PARTICLES IN DRY POWDER FORM, AND USE THEREOF HARIMA CHEMICALS, INC. (JP) 2014-06-26 US disclosed
US-8758475-B2 Fine metal particles and fine metal oxide particles in dry powder form, and use thereof HARIMA CHEMICALS, INC. (JP) 2014-06-24 US disclosed
US-20070051927-A1 Fine metal particles and fine metal oxide particles in dry powder form, and use thereof HARIMA CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1683592-A1 FINE METAL PARTICLES AND FINE METAL OXIDE PARTICLES IN DRY POWDER FORM, AND USE THEREOF Harima Chemicals, Inc. (JP) 2006-07-26 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 (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-10829442-B2 Process for the preparation of carbamates CPS1, GLUL, CBR3 ALDH1A1 932/4885TDP1 3764/4885CYP3A4 36/4885
US-20190169115-A1 IMPROVED PROCESS FOR THE PREPARATION OF CARBAMATES CPS1, GLUL, C9 ALDH1A1 1254/4885TDP1 3787/4885CYP3A4 36/4885

“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.