SCHEMBL3728565

SCHEMBL3728565

Cc1cccc(OCCC#N)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
F2 P00734 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL12228138 0.91 DRD2 (0.54) KMT2ALMNAHTTALDH1A1MAPT
SCHEMBL11799501 0.90 MAPK1 (0.56) KMT2ALMNAHTTALDH1A1MAPT
SCHEMBL11799065 0.90 DRD2 (0.53) KMT2ALMNAHTTALDH1A1MAPT
SCHEMBL11764164 0.87 GAA (0.50) KMT2AMAPK1
SCHEMBL11333605 0.83 ACHE (0.44) KMT2ALMNAHTTALDH1A1MAPT
SCHEMBL27465 0.82 DRD2 (0.62) KMT2ALMNAHTTDRD2DRD4
SCHEMBL29381067 0.82 DRD2 (0.62) KMT2ALMNAHTTDRD2DRD4
SCHEMBL9044971 0.82 MAPK1 (0.56) KMT2ALMNAALDH1A1L3MBTL1TDP1
SCHEMBL8195129 0.81 ACHE (0.50) KMT2ALMNAHTTALDH1A1MAPT
SCHEMBL3725376 0.81 THRB (0.46) KMT2AALDH1A1MAPTKDM4ETDP1

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
EP-2053918-B1 PROPYL PHENOXY ETHERS FOR USE AS DELIVERY AGENTS EMISPHERE TECH INC (US) 2014-07-23 EP disclosed
US-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2010-03-11 US disclosed
US-3936477-A Blue anthraquinoid disperse dyes, their production and use BASF AKTIENGESELLSCHAFT (DT) 1976-02-03 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-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EPX, HPD, CYP2C8 KMT2A 2202/4885LMNA 2327/4885HTT 1749/4885

“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.