SCHEMBL2806852

SCHEMBL2806852

CCN(CC)CC.Nc1cc(N)cc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.45
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
DDO Q99489 1/20 0.42
TSHR P16473 2/20 0.40
ACHE P22303 2/20 0.40
MAOA P21397 2/20 0.40
HTR3A P46098 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2D6 P10635 1/20 0.40
BLM P54132 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL2811524 0.96 TPMT (0.45) TPMTALDH1A1LMNAKDM4EMEN1
SCHEMBL2811526 0.96 TPMT (0.45) TPMTALDH1A1LMNAKDM4EMEN1
SCHEMBL28289613 0.85 TPMT (0.48) TPMTALDH1A1LMNAKDM4EMEN1
SCHEMBL109155 0.82 KDM4E (0.56) TPMTALDH1A1LMNAKDM4EMEN1
3-Aminobenzoic Acid SCHEMBL30011316 0.82 PBRM1 (0.53) ALDH1A1LMNAKDM4EKMT2APRKCI
3-Aminobenzoic Acid SCHEMBL4889994 0.82 PBRM1 (0.53) ALDH1A1LMNAKDM4EKMT2APRKCI
Butane SCHEMBL6727426 0.81 TPMT (0.50) TPMTALDH1A1LMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL4295557 0.80 KDM4E (0.54) TPMTALDH1A1LMNAKDM4EMEN1
SCHEMBL1478628 0.80 KDM4E (0.54) TPMTALDH1A1LMNAKDM4EMEN1
SCHEMBL2888306 0.80 KDM4E (0.54) TPMTALDH1A1LMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103223300-B Hollow fiber type composite nano-filtration membrane and preparation method thereof UNIV TSINGHUA 2015-05-20 CN disclosed
CN-103223300-A Hollow fiber type composite nano-filtration membrane and preparation method thereof UNIV TSINGHUA 2013-07-31 CN disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 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 (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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TPMT 3508/4885ALDH1A1 401/4885LMNA 1650/4885

“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.