SCHEMBL1702215

SCHEMBL1702215

CC(C)(C)OOOC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 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
SCHEMBL19810592 0.95 TSHR (0.58) TSHRTDP1ALDH1A1
SCHEMBL1723918 0.90 TSHR (0.64) TSHRTDP1ALDH1A1
SCHEMBL1684315 0.86 TSHR (0.58) TSHRTDP1ALDH1A1
SCHEMBL2811713 0.86 TSHR (0.58) TSHRTDP1ALDH1A1
SCHEMBL7026060 0.79 TSHR (0.41) TSHRTDP1
SCHEMBL31458331 0.79
SCHEMBL14861 0.78 TDP1 (1.00) TSHRTDP1ALDH1A1
SCHEMBL28236221 0.78 TDP1 (1.00) TSHRTDP1ALDH1A1
SCHEMBL10000828 0.76
Hydrochloric Acid SCHEMBL25381110 0.74 TSHR (0.89) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457164-B Method for synthesizing parithenol 南方科技大学 2023-01-03 CN claimed
CN-109071786-B Two part curable composition 汉高知识产权控股有限责任公司 2021-09-14 CN claimed
CN-112457164-A Method for synthesizing parithenol 南方科技大学 2021-03-09 CN claimed
CN-112457164-B Method for synthesizing parithenol 南方科技大学 2023-01-03 CN disclosed
CN-110475783-B Cationic ruthenium complex, preparation method and application thereof 高砂香料工业株式会社 2022-10-21 CN disclosed
CN-112457164-A Method for synthesizing parithenol 南方科技大学 2021-03-09 CN disclosed
CN-110950797-A Preparation method of 2-trifluoromethyl-3-fluoro-4-picolinic acid and derivatives thereof 丽水绿氟科技有限公司 2020-04-03 CN disclosed
US-9776999-B2 Antiparisitic dihydroazole compounds and compositions comprising same MERIAL INC. (US) 2017-10-03 US disclosed
US-20170022197-A1 ANTIPARISITIC DIHYDROAZOLE COMPOUNDS AND COMPOSITIONS COMPRISING SAME MERIAL, INC. (US) 2017-01-26 US disclosed
US-9376434-B2 Antiparisitic dihydroazole compounds and compositions comprising same MERIAL INC. (US) 2016-06-28 US disclosed
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
WO-2000074681-A1 METALLOPROTEASE INHIBITORS PFIZER LIMITED (GB) 2000-12-14 WO disclosed
EP-0685497-B1 Stereospecific catalyst system for polymerisation of olefins BOREALIS AS (DK) 1999-11-03 EP disclosed
US-5869418-A COMPOSED OF A TITANIUM COMPOUND, AN ORGANOALUMINUM COCATALYST AND A FIRST AND SECOND EXTERNAL ELECTRON DONOR, WHEREIN FIRST ELECTRON DONOR IS AN ACETAL DERIVATIVE OF AN ALDEHYDE BOREALIS HOLDING A/S (DK) 1999-02-09 US disclosed
WO-1995032994-A1 STEREOSPECIFIC CATALYST SYSTEM FOR POLYMERIZATION OF OLEFINS BOREALIS HOLDING A/S (DK) 1995-12-07 WO disclosed
EP-0685497-A1 Stereospecific catalyst system for polymerisation of olefins Borealis Holding A/S (DK) 1995-12-06 EP disclosed
WO-1994011788-A1 METHOD OF PRODUCING MICROSTRUCTURES TECHNISCHE UNIVERSITEIT DELFT (NL) 1994-05-26 WO disclosed
CN-1067241-A The method of terminal olefin oxidation system aldehyde UNION CARBIDE CHEM PLASTIC (US) 1992-12-23 CN disclosed
EP-0506068-A1 Oxidation of terminal olefins to aldehydes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-09-30 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 (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-20170022197-A1 ANTIPARISITIC DIHYDROAZOLE COMPOUNDS AND COMPOSITIONS COMPRISING SAME DDT, CYP1A1, CYP1A2 TSHR 3439/4885TDP1 2384/4885ALDH1A1 74/4885
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI TSHR 2803/4885TDP1 4188/4885ALDH1A1 934/4885

“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.