SCHEMBL3879955

SCHEMBL3879955

C=C1CCC(C(=O)OC)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
BRD4 O60885 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 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
SCHEMBL15445855 0.88 BRD4 (0.42) TP53SMN1; SMN2BRD4CHRNB2CHRNA4
SCHEMBL4463171 0.88 BRD4 (0.42) TP53SMN1; SMN2BRD4CHRNB2CHRNA4
SCHEMBL17756080 0.88 BRD4 (0.42) TP53SMN1; SMN2BRD4CHRNB2CHRNA4
Bicarbonate SCHEMBL7356898 0.84 BRD4 (0.40) TP53SMN1; SMN2BRD4CHRNB2CHRNA4
Ethylene SCHEMBL11701928 0.81 BRD4 (0.43) TP53SMN1; SMN2BRD4CHRNB2CHRNA4
SCHEMBL791232 0.80 BRD4 (0.46) TP53SMN1; SMN2BRD4CHRNB2CHRNA4
Ethylene SCHEMBL11226332 0.79 TP53 (0.52) TP53SMN1; SMN2BRD4CHRNB2CHRNA4
Ethylene SCHEMBL27716391 0.79
SCHEMBL16388414 0.78 HTT (0.32) SMN1; SMN2KMT2A
SCHEMBL2948892 0.78 TP53 (0.56) TP53SMN1; SMN2BRD4CHRNB2CHRNA4

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
US-8398887-B2 Liquid crystal compounds of butylenes YANTAI VALIANT FINE CHEMICALS CO., LTD. (CN) 2013-03-19 US disclosed
US-20110260106-A1 LIQUID CRYSTAL COMPOUNDS OF BUTYLENES VALIANT CORPORATION LIMITED (CN) 2011-10-27 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP 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-20110260106-A1 LIQUID CRYSTAL COMPOUNDS OF BUTYLENES OR10J3, CNOT1, MYB TP53 3494/4885SMN1; SMN2 2079/4885BRD4 684/4885
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 TP53 3461/4885SMN1; SMN2 2768/4885BRD4 2485/4885

“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.