SCHEMBL6014558

SCHEMBL6014558

CCOP(=O)(OCC)OCCN

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29212840 1.00 TSHR (0.65) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL31533519 0.92 TSHR (0.77) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL555003 0.87 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1
SCHEMBL5462392 0.86 TSHR (0.59) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL30902591 0.85 CYP3A4 (0.54) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL16187636 0.84 TSHR (0.56) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL8962338 0.84 TSHR (0.81) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL22288214 0.84 ALDH1A1 (0.48) TSHRCYP3A4ALDH1A1
Methacrylic Acid SCHEMBL28569654 0.83 TSHR (0.45) TSHRCYP3A4CA12CA1CA2
SCHEMBL6953430 0.82 TSHR (0.54) TSHRCYP3A4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119735979-A Single-component anti-corrosion antirust water-based reactive primer and preparation method thereof 河北比尔尼克新材料科技股份有限公司 2025-04-01 CN claimed
CN-109517470-B Water-based ultrathin fireproof coating and preparation method thereof 中建西部建设股份有限公司 2021-07-02 CN claimed
EP-2428235-B1 Use of compounds hardened by means of polymerisation for producing biodegradable, biocompatible, networked polymers UNIV WIEN TECH (AT) 2014-06-04 EP claimed
CN-119735979-A Single-component anti-corrosion antirust water-based reactive primer and preparation method thereof 河北比尔尼克新材料科技股份有限公司 2025-04-01 CN disclosed
CN-115403558-A Aromatic heterocyclic compound with antitumor activity and preparation method and application thereof 河南真实生物科技有限公司 2022-11-29 CN disclosed
CN-109517470-B Water-based ultrathin fireproof coating and preparation method thereof 中建西部建设股份有限公司 2021-07-02 CN disclosed
CN-106146367-A Allyl sulfenyl amino 1,4-benzoquinone compounds, its preparation and application 北京大学 2016-11-23 CN disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 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 (3 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-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 TSHR 4286/4885CYP3A4 19/4885ALDH1A1 462/4885
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TSHR 4569/4885CYP3A4 95/4885ALDH1A1 37/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TSHR 4569/4885CYP3A4 95/4885ALDH1A1 37/4885

“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.