SCHEMBL29856

SCHEMBL29856

c1ccc(OC2CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.71
SLC6A3 Q01959 4/20 0.59
SLC6A4 P31645 3/20 0.59
SLC6A2 P23975 3/20 0.59
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 2/20 0.42

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
Ammonia Solution, Strong SCHEMBL8078606 0.97 HRH1 (0.68) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL3012457 0.91 HRH1 (0.61) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL796490 0.90 HRH1 (0.65) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL1829827 0.90 HRH1 (0.65) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL12544887 0.89 HRH1 (0.59) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL2647849 0.89 HRH1 (0.59) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL16838840 0.89 HRH1 (0.59) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL1931210 0.89 HRH1 (0.59) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL8597769 0.89 HRH1 (0.59) HRH1SLC6A3SLC6A4SLC6A2CARM1
SCHEMBL2647851 0.89 HRH1 (0.59) HRH1SLC6A3SLC6A4SLC6A2CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP claimed
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-22 US disclosed
CN-112469768-B Polymerization condition setting method and method for producing optical material 三井化学株式会社 2023-04-28 CN disclosed
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-03-21 US disclosed
CN-111868099-B Method for setting polymerization conditions and method for producing optical material 三井化学株式会社 2022-12-16 CN disclosed
CN-108699106-B Novel trifluoromethylpropionamide derivatives as HTRA1 inhibitors 豪夫迈·罗氏有限公司 2021-11-30 CN disclosed
EP-3504197-B1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-11-17 EP disclosed
EP-3484859-B1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-09-15 EP disclosed
US-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-07-13 US disclosed
CN-109265352-B Preparation method of aryl cyclopropyl ether and derivatives thereof 杭州迈世腾药物科技有限公司 2021-06-04 CN disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 US disclosed
US-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
WO-2001090037-A1 METHOD FOR PRODUCING ACYLATED PHENOL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2001-11-29 WO disclosed
US-6096680-A REUSABLE ALUMINUM FRIEDEL-CRAFTS CATALYSTS; FORMED FROM AN ALUMINUM TRIHALIDE, ALKALI METAL HALIDE OR PSEUDOHALIDE, ALKALINE EARTH METAL HALIDE, QUATERNARY AMMONIUM, PHOSPHONIUM AND/OR SULFONIUM SALT AND AN AROMATIC HYDROCARBON ALBEMARLE CORPORATION (US) 2000-08-01 US disclosed
WO-1999054038-A1 LIQUID CLATHRATE COMPOSITIONS ALBEMARLE CORPORATION (US) 1999-10-28 WO disclosed
US-5859302-A Processes employing reusable aluminum catalysts ALBEMARLE CORPORATION (US) 1999-01-12 US disclosed
EP-0838447-A1 Processes employing reusable aluminum catalysts ALBEMARLE CORPORATION (US) 1998-04-29 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 (5 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-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HTRA1, HTR1A, HTR1E HRH1 37/4885SLC6A3 117/4885SLC6A4 170/4885
US-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 HRH1 464/4885SLC6A3 1508/4885SLC6A4 1546/4885
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 HRH1 166/4885SLC6A3 4125/4885SLC6A4 2209/4885
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators C5AR1, C3AR1, C5AR2 HRH1 78/4885SLC6A3 3790/4885SLC6A4 2133/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HRH1 147/4885SLC6A3 1647/4885SLC6A4 3163/4885

“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.