SCHEMBL2810702

SCHEMBL2810702

CCN(CC)CC.Nc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP2C19 P33261 3/20 0.52
BLM P54132 3/20 0.52
THRB P10828 2/20 0.52
RECQL P46063 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
APEX1 P27695 1/20 0.52
MCL1 Q07820 1/20 0.52
TNF P01375 1/20 0.52
HSPD1 P10809 1/20 0.52

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
SCHEMBL2810699 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL27930270 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATDP1MAPT
Mesalamine SCHEMBL27932723 0.86 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL29364937 0.84 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL231377 0.84 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL2806230 0.83 CYP3A4 (0.50) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL2806233 0.83 CYP3A4 (0.50) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL2810654 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL28520448 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL2809853 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 401/4885MEN1 579/4885KMT2A 730/4885

“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.