SCHEMBL4817307

SCHEMBL4817307

CCC(=C[C](C)C)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.40
CES2 O00748 1/20 0.40
AKR1B1 P15121 1/20 0.40
TP53 P04637 1/20 0.39
TRPA1 O75762 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL3933653 0.79 CES1 (0.43) CES1CES2AKR1B1TP53TRPA1
SCHEMBL2959216 0.78 CES1 (0.46) CES1CES2AKR1B1TP53TRPA1
SCHEMBL27781879 0.78 CES1 (0.41) CES1CES2AKR1B1TP53TRPA1
SCHEMBL2959218 0.78 CES1 (0.46) CES1CES2AKR1B1TP53TRPA1
SCHEMBL27912958 0.76 CES1 (0.40) CES1CES2AKR1B1TP53TRPA1
SCHEMBL27912978 0.76 CES1 (0.40) CES1CES2AKR1B1TP53TRPA1
SCHEMBL1791466 0.76 CYP3A4 (0.52) CES1CES2AKR1B1TP53TRPA1
SCHEMBL5676720 0.74 CES2 (0.39) CES1CES2AKR1B1TP53TRPA1
SCHEMBL27913000 0.74 CES2 (0.39) CES1CES2AKR1B1TP53TRPA1
SCHEMBL18951203 0.74 CES2 (0.39) CES1CES2AKR1B1TP53TRPA1

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-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

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 CES1 4534/4885CES2 2869/4885AKR1B1 3906/4885

“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.