SCHEMBL300622

SCHEMBL300622

CC(C)=C(C)c1ccc(C(C)N2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2D6 P10635 1/20 0.42
LRRK2 Q5S007 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
HIF1A Q16665 1/20 0.38
MC4R P32245 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KCNA5 P22460 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
SCHEMBL1013432 0.84 ALDH1A1 (0.50) LTA4HALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL13267282 0.81 TSHR (0.54) LTA4HALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL263757 0.79 ALDH1A1 (0.49) LTA4HALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL25168575 0.77 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CYP2C19LMNA
SCHEMBL13267271 0.77 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CYP2C19LMNA
SCHEMBL1927983 0.76 LTA4H (0.49) LTA4HALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL30206304 0.76 LTA4H (0.49) LTA4HALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL263756 0.76 LTA4H (0.49) LTA4HALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL23146340 0.76 LTA4H (0.49) LTA4HALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL1927517 0.76 LTA4H (0.49) LTA4HALDH1A1TSHRCYP3A4CYP2C19

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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (2 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK LTA4H 626/4885ALDH1A1 3662/4885TSHR 1587/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885ALDH1A1 3235/4885TSHR 1278/4885

“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.