SCHEMBL6159430

SCHEMBL6159430

C=CCC[CH]c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
CYP2A6 P11509 1/20 0.42
MAOB P27338 1/20 0.36
IDH1 O75874 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ACHE P22303 1/20 0.32
CYP2C19 P33261 1/20 0.32
NFE2L2 Q16236 2/20 0.32
IDO1 P14902 1/20 0.31
PAM P19021 1/20 0.31

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
SCHEMBL7327835 0.86 ALDH1A1 (0.44) ALDH1A1TSHRCYP2A6MAOBIDH1
Styrene SCHEMBL364050 0.82 ALDH1A1 (0.74) ALDH1A1TSHRCYP2A6MAOBIDH1
Styrene SCHEMBL20153440 0.82 ALDH1A1 (0.74) ALDH1A1TSHRCYP2A6MAOBIDH1
Styrene SCHEMBL17644283 0.80 ALDH1A1 (0.70) ALDH1A1TSHRCYP2A6MAOBIDH1
SCHEMBL87669 0.79 ALDH1A1 (0.52) ALDH1A1TSHRCYP2A6MAOBLMNA
SCHEMBL245276 0.77 ALDH1A1 (0.43) ALDH1A1TSHRCYP2A6MAOBLMNA
SCHEMBL9530439 0.76 SIGMAR1 (0.47) ALDH1A1TSHRMAOBL3MBTL1MEN1
SCHEMBL3256288 0.76 SIGMAR1 (0.47) ALDH1A1TSHRMAOBL3MBTL1MEN1
SCHEMBL8735737 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8154332 0.76 ALDH1A1 (0.48) ALDH1A1TSHRCYP2A6MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115838368-B Hydroxamic acid compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 CN claimed
CN-115838368-A Oxime acid compound and derivative, preparation method, pharmaceutical composition and application thereof 中国药科大学 2023-03-24 CN claimed
CN-115838368-B Hydroxamic acid compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 CN disclosed
CN-115838368-A Oxime acid compound and derivative, preparation method, pharmaceutical composition and application thereof 中国药科大学 2023-03-24 CN disclosed
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 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 (1 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA ALDH1A1 187/4885TSHR 2333/4885CYP2A6 296/4885

“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.