SCHEMBL5800200

SCHEMBL5800200

CC(=CC=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 1/20 0.46
SRD5A2 P31213 1/20 0.46
RAB9A P51151 2/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
EPHX2 P34913 4/20 0.41
NR1H4 Q96RI1 3/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41

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
SCHEMBL27885381 1.00 HDAC1 (0.47) HDAC1MEN1ALDH1A1HTTKMT2A
SCHEMBL7799695 0.82 NR4A1 (0.61) ALDH1A1SRD5A2MAPTNR4A1NR4A2
SCHEMBL7804956 0.82 NR4A1 (0.61) ALDH1A1SRD5A2MAPTNR4A1NR4A2
SCHEMBL28031837 0.82 HDAC1 (0.48) HDAC1MEN1ALDH1A1HTTKMT2A
SCHEMBL8160158 0.80 RXRA (0.55) MEN1ALDH1A1KMT2AMAPTRARB
SCHEMBL8160160 0.80 RXRA (0.55) MEN1ALDH1A1KMT2AMAPTRARB
SCHEMBL22363236 0.79 HDAC1 (0.48) HDAC1MEN1ALDH1A1HTTKMT2A
SCHEMBL22363237 0.79 HDAC1 (0.48) HDAC1MEN1ALDH1A1HTTKMT2A
SCHEMBL28609678 0.78 HDAC1 (0.46) HDAC1MEN1ALDH1A1HTTKMT2A
SCHEMBL13676268 0.78 HDAC1 (0.46) HDAC1MEN1ALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369365-A A kind of lilial intermediate is to tert-butyl-α-methylcinnamaldehyde preparation method 山东新和成药业有限公司 2019-02-22 CN claimed
CN-117247977-A Method for synthesizing convaldehyde by enzyme method 四川大学 2023-12-19 CN disclosed
CN-109369365-A A kind of lilial intermediate is to tert-butyl-α-methylcinnamaldehyde preparation method 山东新和成药业有限公司 2019-02-22 CN disclosed
CN-109369365-A A kind of lilial intermediate is to tert-butyl-α-methylcinnamaldehyde preparation method 山东新和成药业有限公司 2019-02-22 CN disclosed
CN-109369365-A A kind of lilial intermediate is to tert-butyl-α-methylcinnamaldehyde preparation method 山东新和成药业有限公司 2019-02-22 CN disclosed
CN-102413908-B The method of conditioning catalysts by membrane filtration BASF SE (DE) 2015-09-23 CN disclosed
CN-102413908-A Method for conditioning catalysts by membrane filtration BASF SE 2012-04-11 CN disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US disclosed
EP-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed
US-4283534-A Reductive alkylation of nitrogen heterocycles BASF AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed
US-4263459-A 3-Methyl-aldehydes, processes for their preparation and their use as odorants HAARMANN & REIMER GMBH (DE) 1981-04-21 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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS HDAC1 2680/4885MEN1 2019/4885ALDH1A1 848/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS HDAC1 1859/4885MEN1 2653/4885ALDH1A1 847/4885

“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.