SCHEMBL3215330

SCHEMBL3215330

CCOC(=O)CC#C[CH]c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NR1H4 Q96RI1 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.41
RAB9A P51151 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
MDM2 Q00987 1/20 0.40
PPID Q08752 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3214071 0.77 GAA (0.62) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL3215334 0.75 PPID (0.48) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL3218909 0.73 TLR8 (0.36) MEN1KMT2AGAAALDH1A1POLB
SCHEMBL2659453 0.73 RELA (0.35) MEN1KMT2ACTDSP1SMN1; SMN2ALDH1A1
SCHEMBL2944114 0.72 GAA (0.57) GAASMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL6210514 0.70 MEN1 (0.58) MEN1KMT2AGAACTDSP1SMN1; SMN2
SCHEMBL2658420 0.70 LMNA (0.38) SMN1; SMN2POLBRAB9ALMNAMAPT
Toluene SCHEMBL27468398 0.70 NLRP3 (0.50) MEN1KMT2AGAASMN1; SMN2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL14880154 0.69 MEN1 (0.56) MEN1KMT2AGAACTDSP1SMN1; SMN2
Benzaldehyde SCHEMBL28240274 0.69 KMT2A (0.56) MEN1KMT2AGAACTDSP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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 (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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 MEN1 1512/4885KMT2A 3166/4885GAA 4170/4885

“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.