SCHEMBL3908306

SCHEMBL3908306

CCCC(C(=O)OC)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SLC6A3 Q01959 1/20 0.39
THRB P10828 2/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
MMP2 P08253 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL26828326 0.98 THRB (0.40) SMN1; SMN2TP53TSHRMEN1KMT2A
SCHEMBL4955886 0.90 CA1 (0.47) TP53TSHREPHX1CA1CA2
SCHEMBL30801441 0.87 ZDHHC7 (0.50) TP53TSHRKMT2AALDH1A1EPHX1
SCHEMBL3917565 0.86 TSHR (0.48) SMN1; SMN2TSHRMEN1KMT2AALDH1A1
SCHEMBL13545056 0.85 TP53 (0.44) SMN1; SMN2TP53TSHRMEN1KMT2A
SCHEMBL38665252 0.85 ZDHHC7 (0.51) TSHREPHX1CA1CA2
SCHEMBL10256655 0.84 TP53 (0.41) SMN1; SMN2TP53TSHRMEN1KMT2A
SCHEMBL5009517 0.83 NAAA (0.45) SMN1; SMN2TSHRALDH1A1NPSR1THRB
SCHEMBL9588848 0.81 TP53 (0.44) SMN1; SMN2TP53TSHRMEN1KMT2A
SCHEMBL12208613 0.81 TP53 (0.44) SMN1; SMN2TP53TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108689875-A A kind of fenhexamid and its synthetic method 陕西恒润化学工业有限公司 2018-10-23 CN claimed
CN-1200703-C Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2005-05-11 CN claimed
CN-1322524-A Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2001-11-21 CN claimed
CN-108689875-A A kind of fenhexamid and its synthetic method 陕西恒润化学工业有限公司 2018-10-23 CN disclosed
CN-108689875-A A kind of fenhexamid and its synthetic method 陕西恒润化学工业有限公司 2018-10-23 CN disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7176240-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20050267167-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US disclosed
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US disclosed
US-20050261371-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-11-24 US disclosed
CN-1200703-C Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2005-05-11 CN disclosed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US disclosed
CN-1083419-C Pentanoic acid derivatives, process for their preparation, pharmaceutical compositions containing them and their use ONO PHARMACEUTICAL CO (JP) 2002-04-24 CN disclosed
CN-1322524-A Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2001-11-21 CN disclosed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US disclosed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP disclosed
CN-1100408-A Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-03-22 CN disclosed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 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 (4 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-20050267168-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 SMN1; SMN2 373/4885TP53 2336/4885TSHR 50/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 SMN1; SMN2 138/4885TP53 3314/4885TSHR 408/4885
US-20050267167-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 SMN1; SMN2 373/4885TP53 2336/4885TSHR 50/4885
US-20050261371-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 SMN1; SMN2 402/4885TP53 2484/4885TSHR 65/4885

“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.