SCHEMBL3040732

SCHEMBL3040732

CC1=C(C)C(=O)C(Cc2ccccc2)=C(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
CALM1 P0DP23 1/20 0.44
S100A4 P26447 1/20 0.41
PTPN1 P18031 1/20 0.39
IDH1 O75874 3/20 0.39
LMNA P02545 2/20 0.39
TEK Q02763 1/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7912380 0.84 TBXAS1 (0.69) TBXAS1CYP1A2CYP2C9MAPK1HIF1A
SCHEMBL3047178 0.82 XIAP (0.46) TBXAS1MAPK1S100A4PTPN1ALDH1A1
SCHEMBL15698057 0.81 TBXAS1 (0.45) TBXAS1CYP1A2CYP2C9MAPK1HIF1A
SCHEMBL5710686 0.81 TRAP1 (0.51) TBXAS1CYP1A2CYP2C9MAPK1HIF1A
SCHEMBL29747247 0.78 TBXAS1 (0.75) TBXAS1CYP1A2TDP1L3MBTL1
SCHEMBL15698056 0.78 TBXAS1 (0.47) TBXAS1CYP1A2CYP2C9MAPK1HIF1A
SCHEMBL2715544 0.78 TBXAS1 (0.75) TBXAS1CYP1A2TDP1L3MBTL1
SCHEMBL756070 0.77 MAPK1 (0.44) TBXAS1CYP1A2CYP2C9MAPK1HIF1A
SCHEMBL5732104 0.77 FFAR1 (0.49) TBXAS1LMNAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL594558 0.77 TBXAS1 (0.73) TBXAS1CYP1A2TDP1L3MBTL1

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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 US disclosed
WO-2010005989-A1 DERMATOLOGICAL COMPOSITIONS WITH ANTI-AGING AND SKIN EVEN-TONING PROPERTIES EDISON PHARMACEUTICALS, INC. (US) 2010-01-14 WO disclosed
US-20100010100-A1 DERMATOLOGICAL COMPOSITIONS WITH ANTI-AGING AND SKIN EVEN-TONING PROPERTIES EDISON PHARMACEUTICALS, INC. 2010-01-14 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 TBXAS1 826/4885CYP1A2 1279/4885CYP2C9 3690/4885
US-20100010100-A1 DERMATOLOGICAL COMPOSITIONS WITH ANTI-AGING AND SKIN EVEN-TONING PROPERTIES TYR, TELO2, LPO TBXAS1 1725/4885CYP1A2 3058/4885CYP2C9 4561/4885

“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.