SCHEMBL3539637

SCHEMBL3539637

CCCCC1CCCCC(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
NOS1 P29475 6/20 0.49
NOS2 P35228 6/20 0.49
NOS3 P29474 4/20 0.40
ALDH1A1 P00352 2/20 0.38
TLR4 O00206 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CCR2 P41597 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
SCHEMBL9678723 1.00 CYP1A2 (0.55) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL4860248 1.00 CYP1A2 (0.55) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL7739575 0.98 CYP1A2 (0.59) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL7741618 0.98 CYP1A2 (0.59) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL7733050 0.98 CYP1A2 (0.59) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL7741474 0.95 CYP1A2 (0.53) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL918157 0.94 CYP1A2 (0.52) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL4864166 0.94 CYP1A2 (0.52) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL6516575 0.94 CYP1A2 (0.52) CYP1A2NOS1NOS2NOS3ALDH1A1
SCHEMBL7739414 0.93 CYP1A2 (0.52) CYP1A2NOS1NOS2NOS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119752742-A Pre-harvest physiological management method for improving color and smell quality of spirulina 中国海洋大学 2025-04-04 CN disclosed
US-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE CRESCENTA BIOSCIENCES (US) 2023-10-19 US disclosed
US-20230255933-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS CRESCENTA BIOSCIENCES (US) 2023-08-17 US disclosed
US-20230241025-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS CRESCENTA BIOSCIENCES (US) 2023-08-03 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 US disclosed
US-7323604-B2 Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-20 US disclosed
US-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 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 (5 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-20230241025-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS FABP1, FABP4, FABP5 CYP1A2 3773/4885NOS1 4611/4885NOS2 4790/4885
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 CYP1A2 4367/4885NOS1 2228/4885NOS2 2017/4885
US-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE FABP4, FABP1, FABP3 CYP1A2 2551/4885NOS1 3839/4885NOS2 4512/4885
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts ECH1, CBR1, DHCR24 CYP1A2 424/4885NOS1 559/4885NOS2 832/4885
US-20230255933-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS FABP1, FABP4, FABP5 CYP1A2 3272/4885NOS1 4340/4885NOS2 4657/4885

“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.