SCHEMBL3763236

SCHEMBL3763236

CCCC=C1OC(=O)c2cccc(O)c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.62
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 4/20 0.45
TSHR P16473 2/20 0.45
MAOA P21397 2/20 0.41
ELANE P08246 4/20 0.40
CTSG P08311 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.40
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL17552282 1.00 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL3763234 1.00 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL3751329 0.88 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL29466168 0.88 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL3751327 0.88 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL11967649 0.88 TRPA1 (0.62) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL27581602 0.84 TRPA1 (0.56) TRPA1ALDH1A1MAPK1TSHRMAOA
SCHEMBL29466170 0.80 TRPA1 (0.46) TRPA1ALDH1A1MAPK1TSHRMAOA
Z-Butylidenephthalide SCHEMBL290483 0.77 TRPA1 (1.00) TRPA1ALDH1A1MAPK1TSHRHPGD
Z-Butylidenephthalide SCHEMBL290482 0.77 TRPA1 (1.00) TRPA1ALDH1A1MAPK1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993580-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION Moleac Pte Ltd. (SG) 2008-11-26 EP claimed
WO-2007106049-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION MOLEAC PTE LTD (SG) 2007-09-20 WO claimed
CN-115814004-A Medicine composition for treating bone disease 北京朕荣国际生物科技有限公司 2023-03-21 CN disclosed
CN-115737732-A Medicine composition for treating compact osteitis 北京朕荣国际生物科技有限公司 2023-03-07 CN disclosed
CN-112168890-A Formula and preparation method of quick-acting rescue crude drug for rescuing diseased and dangerous fishes 王虎 2021-01-05 CN disclosed
EP-2508191-A1 Combination therapy for treatment of patients with neurological disorders and cerebral infarction Moleac Pte Ltd. (SG) 2012-10-10 EP disclosed
US-7846967-B2 Cosmetic composition for skin whitening comprising senkyunolide A as active ingredient COREANA COSMETICS CO., LTD. (KR) 2010-12-07 US disclosed
US-20090162459-A1 Combination Therapy for Treatment of Patients with Neurological Disorders and Cerebral Infarction MOLEAC PTE. LTD (SG) 2009-06-25 US disclosed
EP-1993580-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION Moleac Pte Ltd. (SG) 2008-11-26 EP disclosed
WO-2007106049-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION MOLEAC PTE LTD (SG) 2007-09-20 WO disclosed
US-20060165619-A1 Cosmetic composition for skin whitening comprising senkyunolide A as active ingredient COREANA COSMETICS CO., LTD. (KR) 2006-07-27 US disclosed
US-20040081631-A1 Cosmetic composition for skin whitening comprising senkyunolide a as active ingredient COREANA COSMETICS CO., LTD. (KR) 2004-04-29 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-20060165619-A1 Cosmetic composition for skin whitening comprising senkyunolide A as active ingredient MC1R, CLK3, WNK1 TRPA1 2631/4885ALDH1A1 3425/4885MAPK1 1689/4885
US-20040081631-A1 Cosmetic composition for skin whitening comprising senkyunolide a as active ingredient MC1R, CLK3, WNK1 TRPA1 2631/4885ALDH1A1 3425/4885MAPK1 1689/4885

“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.