SCHEMBL315436

SCHEMBL315436

Cc1ccc(C(O)CCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHRNA7 P36544 1/20 0.39
ACHE P22303 3/20 0.38
AOC3 Q16853 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TAAR1 Q96RJ0 3/20 0.38
HIF1A Q16665 2/20 0.38
HTR1A P08908 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
NMUR2 Q9GZQ4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR3A P46098 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
NR3C2 P08235 1/20 0.36

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
SCHEMBL3926773 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7
SCHEMBL28754175 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7
SCHEMBL3920170 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7
SCHEMBL3920174 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7
SCHEMBL7859393 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7
SCHEMBL6579051 0.80 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7
SCHEMBL6576494 0.80 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7
SCHEMBL6576487 0.80 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7
SCHEMBL10799093 0.80 TAAR1 (0.39) ALDH1A1LMNASMN1; SMN2AOC3TDP1
SCHEMBL6493189 0.78 TSHR (0.46) ALDH1A1MAPTLMNASMN1; SMN2CHRNA7

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4665246-A Method of producing ethynyl aromatic compounds CHEM BIOCHEM RESEARCH, INC. (US) 1987-05-12 US claimed
CN-114560892-A Chiral tridentate nitrogen phosphine ligand synthesized based on ferrocene skeleton and application thereof 广东工业大学 2022-05-31 CN disclosed
US-8093256-B2 Use of 8-substituted-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2012-01-10 US disclosed
EP-1608654-B1 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-12-23 EP disclosed
EP-1934159-B1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-03-25 EP disclosed
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-01-29 US disclosed
EP-1934159-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2008-06-25 EP disclosed
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-01-24 US disclosed
US-7247638-B2 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives. SANOFI-AVENTIS (FR) 2007-07-24 US disclosed
WO-2007036570-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 WO disclosed
US-5266485-A Biosynthesis KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-11-30 US disclosed
EP-0415344-B1 Resin composition and process for preparing it MITSUBISHI PETROCHEMICAL CO (JP) 1993-11-24 EP disclosed
EP-0520146-A1 Process for preparing a thermoplastic resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 1992-12-30 EP disclosed
US-5159008-A High viscosity polyphenylene ether, low viscosity polyphenylen ether, polyamide unsaturated polar compound, and mineral filles and-or glass fibers MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-10-27 US disclosed
US-5091473-A Polyamide, polyphenylene ether, block polymer, unsaturated acid or anhydride dispension, hydrogenated impact strength, rigidity, heat resistance MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-02-25 US disclosed
EP-0454156-A2 Thermoplastic resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 1991-10-30 EP disclosed
US-5001181-A polyamide blends with dispersed particles of polyphenylene ether which contain dispersed filler particles; strength, flexibility, solvent resistance MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1991-03-19 US disclosed
EP-0415344-A1 Resin composition and process for preparing it MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-03-06 EP disclosed
EP-0357065-A2 Resin composition MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-03-07 EP disclosed
US-4665246-A Method of producing ethynyl aromatic compounds CHEM BIOCHEM RESEARCH, INC. (US) 1987-05-12 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-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS ADH5, ADH1C, ADH1A ALDH1A1 76/4885MAPT 3024/4885LMNA 3099/4885
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 ALDH1A1 2682/4885MAPT 60/4885LMNA 917/4885

“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.