SCHEMBL5870459

SCHEMBL5870459

CCCCC1CCC(N)C(N)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.35
TLR4 O00206 1/20 0.35
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
DPP4 P27487 3/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
SPHK1 Q9NYA1 4/20 0.33
SPHK2 Q9NRA0 3/20 0.33
NAAA Q02083 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL30448990 0.92 SPHK1 (0.41) CYP1A2LMNAMAPK1HTTSPHK1
SCHEMBL26554633 0.92 SPHK1 (0.41) CYP1A2LMNAMAPK1HTTSPHK1
Sulfuric Acid SCHEMBL5870557 0.89 HTT (0.40) CYP1A2LMNAMAPK1HTTMAPT
Sulfuric Acid SCHEMBL5870555 0.89 HTT (0.40) CYP1A2LMNAMAPK1HTTMAPT
SCHEMBL3965893 0.86 NOS3 (0.33) CYP1A2LMNAMAPK1MAPTNOS1
SCHEMBL3963226 0.86 NOS3 (0.33) CYP1A2LMNAMAPK1MAPTNOS1
SCHEMBL27824332 0.83 CYP1A2 (0.43) CYP1A2LMNAMAPK1HTTNOS1
SCHEMBL28153615 0.81 CYP1A2 (0.59) CYP1A2LMNAMAPK1HTTMAPT
SCHEMBL21988093 0.80 CYP1A2 (0.48) CYP1A2LMNAMAPK1HTTMAPT
SCHEMBL333152 0.77 THRB (0.32) NOS1NOS2

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-1172906-C Cyanoethylation of alicyclic hypodiamine �����Ʒ�뻯ѧ��˾ 2004-10-27 CN claimed
CN-1900057-A Method for synthesizing amino sulfonic acid series amphoteric surfactant UNIV TAIYUAN SCIENCE & ENG (CN) 2007-01-24 CN disclosed
US-7057059-B2 Tumor-inhibiting platinum (II) oxalate complexes FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH (DE) 2006-06-06 US disclosed
US-20050143455-A1 Tumor-inhibiting platinum (II) oxalate complexes FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH 2005-06-30 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-20050143455-A1 Tumor-inhibiting platinum (II) oxalate complexes OXGR1, OAT, OXA1L CYP1A2 1312/4885LMNA 4427/4885MAPK1 3993/4885

“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.