SCHEMBL3900680

SCHEMBL3900680

CC(=O)c1ccc(OCC=C(C)C)c(CC=C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.61
ALDH1A1 P00352 6/20 0.51
HIF1A Q16665 1/20 0.51
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
PTGES O14684 1/20 0.44
PTPN1 P18031 2/20 0.44
PDE4B Q07343 1/20 0.44
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
CREBBP Q92793 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6931615 0.84 HTT (0.63) HTTALDH1A1HIF1AHPGDMEN1
SCHEMBL5166963 0.82 TRPA1 (0.45) HTTALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL9525514 0.79 KDM4E (0.50) HTTALDH1A1HIF1AMEN1KMT2A
SCHEMBL5166899 0.78 TRPA1 (0.44) HTTALDH1A1HPGDAKR1C3AKR1C2
3-Prenyl-4-Hydroxyacetophenone SCHEMBL4120403 0.76 HTT (1.00) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL16742132 0.74 ALDH1A1 (0.42) HTTALDH1A1HIF1AHPGDMEN1
SCHEMBL6652201 0.74 TSHR (0.54) HTTALDH1A1PTGESPDE4BTSHR
SCHEMBL1607798 0.73 AKR1C3 (0.64) HTTALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL3900395 0.73 PTGDR2 (0.44) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL26136638 0.73 CYP19A1 (0.44) HTTALDH1A1HIF1AHPGDAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702907-A Scratch-resistant self-repairing TPU (thermoplastic polyurethane) hot melt adhesive film and preparation method thereof 广东汇齐新材料有限公司 2022-07-05 CN claimed
US-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-09-17 US claimed
EP-1768945-B1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-03-18 EP claimed
EP-1768945-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES Riemser Arzneimittel AG (DE) 2007-04-04 EP claimed
WO-2006003010-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2006-01-12 WO claimed
US-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-09-17 US disclosed
US-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-09-17 US disclosed
US-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-09-17 US disclosed
EP-1768945-B1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-03-18 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-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES GNPAT, HOGA1, NQO1 HTT 571/4885ALDH1A1 10/4885HIF1A 1552/4885

“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.