SCHEMBL3725432

SCHEMBL3725432

Cc1ccc(OCCC#N)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2778087 0.83 GAA (0.44) GAAKMT2AMAPTMAPK1TDP1
SCHEMBL3763682 0.82 DRD2 (0.58) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL18560985 0.81 L3MBTL1 (0.53) GAADRD2DRD4DRD3RAB9A
SCHEMBL17637581 0.80 DRD2 (0.61) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL11767977 0.80 GAA (0.68) GAAKMT2AMAPTALDH1A1
SCHEMBL10745573 0.79 GAA (0.58) GAADRD2DRD4DRD3NPC1
SCHEMBL3728565 0.76 KMT2A (0.52) DRD2DRD4DRD3RAB9AKMT2A
SCHEMBL469900 0.76 DRD2 (0.53) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL15760678 0.76 KDM4E (0.53) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL11764164 0.76 GAA (0.50) GAAMEN1KMT2AMAPK1

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 2 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

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 GAA 3574/4885DRD2 2188/4885DRD4 1239/4885

“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.