SCHEMBL8350895

SCHEMBL8350895

CCCCOc1ccc(OC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 3/20 0.55
NPC1 O15118 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PLA2G4B P0C869 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FAAH O00519 1/20 0.54
LTA4H P09960 1/20 0.53
GAA P10253 1/20 0.53
NR5A1 Q13285 1/20 0.53

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
SCHEMBL2406965 0.96 TP53 (0.62) TP53TSHRLMNANPC1CYP1A2
SCHEMBL8080249 0.94 TP53 (0.65) TP53TSHRLMNANPC1CYP1A2
SCHEMBL8072237 0.94 TP53 (0.65) TP53TSHRLMNANPC1CYP1A2
SCHEMBL8081520 0.94 TP53 (0.65) TP53TSHRLMNANPC1CYP1A2
SCHEMBL8081503 0.94 TP53 (0.65) TP53TSHRLMNANPC1CYP1A2
SCHEMBL8081129 0.94 TP53 (0.65) TP53TSHRLMNANPC1CYP1A2
SCHEMBL8984333 0.92 L3MBTL1 (0.56) TSHRLMNACYP1A2CYP2C19L3MBTL1
SCHEMBL8292097 0.88 TP53 (0.61) TP53TSHRLMNANPC1CYP1A2
SCHEMBL14097166 0.87 RARB (0.57) TP53TSHRLMNANPC1CYP1A2
SCHEMBL9650326 0.86 NPC1 (0.72) TP53TSHRLMNANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805038-B Synthesis method of poly (p-phenylene ethylene) photoelectric material intermediate 荆州市天翼精细化工开发有限公司 2023-11-03 CN disclosed
CN-108812681-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2021-02-26 CN disclosed
US-8709280-B2 Polar nematic compounds VANDERBILT UNIVERSITY (US) 2014-04-29 US disclosed
US-20120248373-A1 POLAR NEMATIC COMPOUNDS VANDERBILT UNIVERSITY 2012-10-04 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 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 (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-20120248373-A1 POLAR NEMATIC COMPOUNDS LATS2, CCNH, CRY1 TP53 3616/4885TSHR 1927/4885LMNA 2035/4885
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B TP53 4834/4885TSHR 878/4885LMNA 1122/4885

“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.