SCHEMBL453798

SCHEMBL453798

CC(C)(C)O[P](=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6780503 0.72
SCHEMBL301586 0.67 ALDH1A1 (0.36) TDP1TSHRALDH1A1
SCHEMBL6242458 0.65 TSHR (0.44) TDP1TSHR
SCHEMBL18857032 0.64 ALDH1A1 (0.33) TDP1TSHRALDH1A1
SCHEMBL14438559 0.64
SCHEMBL11301061 0.64 ALDH1A1 (0.33) TDP1TSHRALDH1A1
SCHEMBL9614550 0.62
SCHEMBL3729759 0.61 TSHR (0.31) TDP1TSHRALDH1A1
SCHEMBL211658 0.61 ALDH1A1 (0.38) TDP1TSHRALDH1A1
SCHEMBL2216329 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283923-A Preparation method of biaryl compound 杭州师范大学 2023-06-23 CN claimed
CN-112745350-B Synthesis method of 4-alkyl phosphonate substituted indole compound 山东领海生物科技有限公司 2022-11-22 CN claimed
CN-118355020-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-16 CN disclosed
CN-116283923-A Preparation method of biaryl compound 杭州师范大学 2023-06-23 CN disclosed
CN-113801254-B Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2023-04-07 CN disclosed
CN-112745350-B Synthesis method of 4-alkyl phosphonate substituted indole compound 山东领海生物科技有限公司 2022-11-22 CN disclosed
CN-112745350-B Synthesis method of 4-alkyl phosphonate substituted indole compound 山东领海生物科技有限公司 2022-11-22 CN disclosed
CN-113801254-A Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2021-12-17 CN disclosed
CN-112745350-A Synthesis method of 4-alkyl phosphonate substituted indole compound 山东领海生物科技有限公司 2021-05-04 CN disclosed
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 US disclosed
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S (US) 2012-12-20 US disclosed
US-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 US disclosed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 EP disclosed
EP-1242432-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-09-25 EP disclosed
WO-2001046205-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO disclosed
EP-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US disclosed
EP-0765160-A4 1997-04-09 EP disclosed
EP-0765160-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY, AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 1997-04-02 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-20030186969-A1 Benzodiazepine derivatives GABRA1, F11, GABRA4 TDP1 2357/4885TSHR 679/4885ALDH1A1 633/4885
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO TDP1 2456/4885TSHR 4020/4885ALDH1A1 1570/4885

“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.