SCHEMBL4817874

SCHEMBL4817874

Cc1c(C)c(Cl)c2c(c1C)-c1ccccc1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 1/20 0.38
MAP3K11 Q16584 1/20 0.38
PGR P06401 1/20 0.36
MAOA P21397 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
PNMT P11086 1/20 0.35
ACHE P22303 3/20 0.34
BCHE P06276 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CES1 P23141 1/20 0.33
EIF2AK1 Q9BQI3 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL9770126 0.77 MAP3K9 (0.42) MAP3K9MAP3K11PGRMAOACA1
SCHEMBL28945156 0.75 MAP3K9 (0.38) MAP3K9MAP3K11PGRMAOACA1
SCHEMBL21925182 0.73 ACHE (0.41) MAP3K9MAP3K11PGRMAOACA1
SCHEMBL29069585 0.72 CES1 (0.43) CES1DRD2SMN1; SMN2
SCHEMBL31589075 0.71 MAOA (0.53) MAP3K9MAP3K11MAOAACHEBCHE
SCHEMBL15960870 0.71 MAOA (0.53) MAP3K9MAP3K11MAOAACHEBCHE
SCHEMBL28675796 0.71 MAP3K9 (0.36) MAP3K9MAP3K11PGRMAOACA1
SCHEMBL22067694 0.71 MAP3K9 (0.55) MAP3K9MAP3K11PGRMAOACA1
SCHEMBL29355432 0.71 MAP3K9 (0.55) MAP3K9MAP3K11PGRMAOACA1
SCHEMBL30741433 0.71 MAP3K9 (0.55) MAP3K9MAP3K11PGRMAOACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337536-B1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2012-09-12 EP disclosed
US-7390861-B2 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-06-24 US disclosed
US-20040033891-A1 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. 2004-02-19 US disclosed
EP-1337536-A1 CATIONIC GROUP-3 CATALYST SYSTEM ExxonMobil Chemical Patents Inc. (US) 2003-08-27 EP disclosed
WO-2002032909-A1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-04-25 WO 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-20040033891-A1 Cationic group-3 catalyst system COG3, ORC3, LIG3 MAP3K9 4266/4885MAP3K11 4439/4885PGR 1932/4885

“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.