Propene

Propene

SCHEMBL3798192

C=CC.O=C(C=NO)c1ccc(F)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
TNFRSF1A P19438 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL11490236 0.91 MEN1 (0.53) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1193448 0.91 MEN1 (0.53) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL12997454 0.91 MEN1 (0.53) MAPTMEN1KMT2ACYP1A2CYP2C19
Fluorobenzene SCHEMBL28285720 0.78 ALDH1A1 (0.47) MAPTMEN1KMT2ACYP1A2CYP2C19
Fluorobenzene SCHEMBL28122683 0.78 ALDH1A1 (0.47) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5464457 0.75 ALDH1A1 (0.61) MAPTMEN1KMT2ACES2CES1
SCHEMBL11436643 0.75 ALDH1A1 (0.61) MAPTMEN1KMT2ACES2CES1
SCHEMBL11480420 0.74 MAPT (0.59) MAPTCYP1A2CYP2C19TNFRSF1ACES2
SCHEMBL5099904 0.74 ALDH5A1 (0.64) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL4452292 0.72 ALDH5A1 (0.56) MAPTMEN1KMT2ACES2HTT

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
US-7834037-B2 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2009-01-15 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-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular LTC4S, ALOX5, LTA4H MAPT 4698/4885MEN1 4241/4885KMT2A 2935/4885

“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.