SCHEMBL17259124

SCHEMBL17259124

CC(C)([C]=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
SLC6A2 P23975 1/20 0.40
SSTR4 P31391 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL2436941 0.81 DRD2 (0.45) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL96456 0.80 SLC6A2 (0.52) ALDH1A1RAB9ATAAR1SLC6A2SMN1; SMN2
SCHEMBL1678534 0.77 ALDH1A1 (0.45) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL315316 0.77 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8878110 0.76 KMT2A (0.39) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4980093 0.76 ALDH1A1 (0.37) ALDH1A1HPGDALOX15ALOX12CASP1
Ammonia Solution, Strong SCHEMBL11662020 0.75 ALDH1A1 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11224549 0.75 TDP1 (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL272368 0.73 TDP1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7212578 0.73 CYP2D6 (0.45) ALDH1A1HPGDALOX15ALOX12CASP1

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
CN-116963710-A Medicine for preventing and treating hyperpigmentation 西姆莱斯股份公司 2023-10-27 CN claimed
CN-114133982-B Method for preparing perfume with rose fragrance and composition raw materials 万华化学集团股份有限公司 2024-02-27 CN disclosed
CN-116963710-A Medicine for preventing and treating hyperpigmentation 西姆莱斯股份公司 2023-10-27 CN disclosed
CN-116283584-A Decenoic acid ester compound and preparation method and application thereof 波顿香料股份有限公司 2023-06-23 CN disclosed
US-9527798-B2 Cyclopropylboronic compounds, preparation process thereof and use thereof DIVERCHIM (FR) 2016-12-27 US disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 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 (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-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF HMBS, MMAB, FDPS ALDH1A1 1615/4885HPGD 1504/4885ALOX15 487/4885

“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.