SCHEMBL22204635

SCHEMBL22204635

CCC(=O)OC(=O)C(C)(C)Br

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HIF1A Q16665 3/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
ESR1 P03372 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAAA Q02083 1/20 0.32
TRPA1 O75762 1/20 0.32
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL28112044 0.82 ALDH1A1 (0.36) ALDH1A1HIF1ACYP1A2HPGDCYP2C19
SCHEMBL29212563 0.81 KDM4E (0.30) KDM4E
SCHEMBL5159118 0.81 PRSS1 (0.32) ALDH1A1
SCHEMBL2551901 0.79 ALDH1A1 (0.38) ALDH1A1HIF1ACYP1A2HPGDCYP2C19
SCHEMBL779254 0.79 ALDH1A1 (0.38) ALDH1A1HIF1ACYP1A2HPGDCYP2C19
SCHEMBL27965520 0.78 TSHR (0.34) ALDH1A1
SCHEMBL8373656 0.75 ALDH1A1 (0.35) ALDH1A1HIF1AESR1NAAATDP1
SCHEMBL775980 0.75 ALDH1A1 (0.35) ALDH1A1NAAATDP1FFAR3
SCHEMBL4849252 0.75 ALDH1A1 (0.31) ALDH1A1HIF1ACYP1A2HPGDCYP2C19
SCHEMBL4855735 0.75 ALDH1A1 (0.34) ALDH1A1HIF1ACYP1A2HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113201143-A Mesoporous nano ZrO2Preparation and application of grafted polystyrene solid-phase extraction filler 杭州余芯新型材料有限公司 2021-08-03 CN claimed
US-20250235434-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2025-07-24 US disclosed
CN-118974060-A Rifabutin analogs for treating diseases 生物验证系统股份公司 2024-11-15 CN disclosed
WO-2023198597-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-10-19 WO disclosed
CN-111051357-B Novel polymer initiator, method for producing same, and method for producing block copolymer 国立大学法人东京农工大学 2023-03-31 CN disclosed
US-20200407497-A1 NOVEL MACROINITIATOR, PRODUCTION METHOD THEREOF AND METHOD FOR PRODUCING BLOCK COPOLYMER NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2020-12-31 US disclosed
EP-3680257-A1 NOVEL MACROINITIATOR, PRODUCTION METHOD THEREOF AND METHOD FOR PRODUCING BLOCK COPOLYMER National University Corporation Tokyo University of Agriculture and Technology (JP) 2020-07-15 EP disclosed
CN-111051357-A Novel polymer initiator, method for producing same, and method for producing block copolymer 国立大学法人东京农工大学 2020-04-21 CN 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-20250235434-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE RIF1, FNTB, Q6ZSR9 ALDH1A1 1724/4885HIF1A 1393/4885CYP1A2 1214/4885

“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.