SCHEMBL8302834

SCHEMBL8302834

COc1cccc(OCC(C)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.74
ALDH1A1 P00352 1/20 0.60
MTNR1A P48039 4/20 0.59
MTNR1B P49286 4/20 0.59
GAA P10253 3/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK10 P53779 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 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
SCHEMBL6298211 0.92 LMNA (0.61) LMNAALDH1A1MTNR1AMTNR1BGAA
SCHEMBL30785439 0.85 LMNA (1.00) LMNAALDH1A1MTNR1AMTNR1BGAA
SCHEMBL594554 0.85 LMNA (1.00) LMNAALDH1A1MTNR1AMTNR1BGAA
SCHEMBL7293057 0.84 LMNA (0.72) LMNAALDH1A1MTNR1AMTNR1BGAA
SCHEMBL31556370 0.84 LMNA (0.72) LMNAALDH1A1MTNR1AMTNR1BGAA
SCHEMBL4777988 0.84 LMNA (0.72) LMNAALDH1A1MTNR1AMTNR1BGAA
SCHEMBL9207885 0.84 LMNA (0.72) LMNAALDH1A1MTNR1AMTNR1BGAA
SCHEMBL1308472 0.84 LMNA (0.72) LMNAALDH1A1MTNR1AMTNR1BGAA
Anisole SCHEMBL28851690 0.83 ALOX15 (0.59) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL8082700 0.81 CYP3A4 (0.59) LMNAALDH1A1MTNR1AMTNR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385960-A Preparation method and application of oxaspiro compound with large steric hindrance 惠州凯特立斯科技有限公司 2022-11-25 CN claimed
CN-115385960-A Preparation method and application of oxaspiro compound with large steric hindrance 惠州凯特立斯科技有限公司 2022-11-25 CN disclosed
US-11000033-B2 Ketone or oxime compound, and herbicide NISSAN CHEMICAL CORPORATION (JP) 2021-05-11 US disclosed
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2019-02-21 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
WO-2016098899-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE 日産化学工業株式会社 2016-06-23 WO disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO disclosed
EP-0064487-A1 New substituted 3-(parasubstituted)phenoxy-1-alkylamino-propanol-2-s, as well as process for their preparation, pharmaceutical preparations containing same, and method for treating cardiac failure Aktiebolaget Hässle (SE) 1982-11-10 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 (3 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-11000033-B2 Ketone or oxime compound, and herbicide OR10J3, CYP1B1, CBR3 LMNA 4562/4885ALDH1A1 493/4885MTNR1A 1441/4885
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 LMNA 4561/4885ALDH1A1 517/4885MTNR1A 1406/4885
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 LMNA 4561/4885ALDH1A1 517/4885MTNR1A 1406/4885

“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.