SCHEMBL1835374

SCHEMBL1835374

CCCCCOCOCCCCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
CES2 O00748 2/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.44
CES1 P23141 1/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
SPHK1 Q9NYA1 1/20 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
SCHEMBL723818 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL25497303 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL7179056 0.97 HTT (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567212 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL11048788 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567292 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL15842210 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567250 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL25298734 0.94 THRB (0.54) THRBHTTMEN1KMT2AMAPT
SCHEMBL22497321 0.94 THRB (0.54) THRBHTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656638-A ANTICANCER, ANTITUMOR AGENTS GERON CORPORATION (US) 1997-08-12 US claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
CN-113024359-B Process for preparing alkoxymethyl alkynyl ether compounds having terminal triple bonds 信越化学工业株式会社 2024-06-11 CN disclosed
EP-3842406-B1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND SHINETSU CHEMICAL CO (JP) 2023-10-11 EP disclosed
CN-112313252-B Process for preparing multimodal polyolefins SABIC环球技术有限责任公司 2023-04-18 CN disclosed
CN-113260642-B Process for preparing polyethylene SABIC环球技术有限责任公司 2023-03-14 CN disclosed
US-11384041-B2 Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-07-12 US disclosed
CN-113260642-A Process for preparing polyethylene SABIC环球技术有限责任公司 2021-08-13 CN disclosed
US-20210198172-A1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-07-01 US disclosed
EP-3842406-A1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND Shin-Etsu Chemical Co., Ltd. (JP) 2021-06-30 EP disclosed
US-4071529-A Derivatives of 6-aminopenicillanic acid MERCK & CO., INC. (US) 1978-01-31 US disclosed
US-4064344-A ANTIBIOTIC MERCK & CO., INC. (US) 1977-12-20 US disclosed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-4051092-A CURABLE RESIN, POLYISOCYANATE INTERNATIONAL MINERALS & CHEMICAL CORPORATION (US) 1977-09-27 US disclosed
US-4035359-A 6α, β-Substituted penicillin derivatives MERCK & CO., INC. (US) 1977-07-12 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed
US-4014874-A Process for the manufacture of 3-substituted thiomethyl-7-amino-2-cephem-4-carboxylic acid compound CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 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-20210198172-A1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND CBR3, CBR1, AOC2 THRB 3494/4885HTT 3236/4885MEN1 4017/4885
US-11384041-B2 Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond CBR3, CBR1, AOC2 THRB 3494/4885HTT 3236/4885MEN1 4017/4885

“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.