SCHEMBL1950299

SCHEMBL1950299

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nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 3/20 0.33
CYP2C9 P11712 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
SCHEMBL23923262 1.00 PDE4A (0.36) PDE4AALDH1A1TSHRCYP2C9
SCHEMBL1037497 1.00 PDE4A (0.36) PDE4AALDH1A1TSHRCYP2C9
SCHEMBL19384838 0.84 PDE4A (0.39) PDE4AALDH1A1TSHRCYP2C9
SCHEMBL20853846 0.83 TSHR (0.32) TSHR
SCHEMBL5029667 0.82 PDE4A (0.38) PDE4AALDH1A1TSHRCYP2C9
SCHEMBL570514 0.80 TSHR (0.41) TSHR
SCHEMBL645759 0.80 PDE4A (0.39) PDE4AALDH1A1TSHRCYP2C9
SCHEMBL7770754 0.80 TSHR (0.41) TSHR
SCHEMBL27671066 0.80 TSHR (0.41) TSHR
SCHEMBL570513 0.80 TSHR (0.41) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386128-A Combination therapy for immunomodulation 奥瑞基尼探索技术有限公司 2020-07-07 CN claimed
US-5808111-A Stable acitretinoid compounds THE OHIO STATE RESEARCH FOUNDATION (US) 1998-09-15 US claimed
EP-4282853-A1 PROCESS FOR THE PREPARATION OF MESACONIC ACID ESTERS Symrise AG (DE) 2023-11-29 EP disclosed
US-20220395521-A1 MICROBIOME REGULATORS AND RELATED USES THEREOF KALEIDO BIOSCIENCES, INC. (US) 2022-12-15 US disclosed
CN-110099990-B Perfume mixture 西姆莱斯股份公司 2022-11-29 CN disclosed
CN-115322833-A Perfume mixture 西姆莱斯股份公司 2022-11-11 CN disclosed
US-10988434-B2 Fragrance mixture SYMRISE AG (DE) 2021-04-27 US disclosed
CN-111386128-A Combination therapy for immunomodulation 奥瑞基尼探索技术有限公司 2020-07-07 CN disclosed
CN-111372584-A Dual inhibitors of the TIM-3 and PD-1 pathways 奥瑞基尼探索技术有限公司 2020-07-03 CN disclosed
EP-3559179-A1 FRAGRANCE MIXTURE Symrise AG (DE) 2019-10-30 EP disclosed
US-20180296582-A1 MICROBIOME REGULATORS AND RELATED USES THEREOF HERCULES CAPITAL, INC. 2018-10-18 US disclosed
US-20150225758-A1 GENETICALLY MODIFIED CELLS AND METHODS FOR MAKING ACTIVATED SUGAR-NUCLEOTIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-08-13 US disclosed
US-8404650-B2 Methods of treating cancer with doxazolidine and prodrugs thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-03-26 US disclosed
US-20110135618-A1 METHODS OF TREATING CANCER WITH DOXAZOLIDINE AND PRODRUGS THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2011-06-09 US disclosed
WO-2007102888-A2 METHODS OF TREATING CANCER WITH DOXAZOLIDINE AND PRODRUGS THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2007-09-13 WO disclosed
WO-2000001682-A1 WATER-SOLUBLE DERIVATIVES OF PACLITAXEL, METHOD FOR PRODUCING SAME AND USES THEREOF BCM DEVELOPPEMENT INC. (CA) 2000-01-13 WO disclosed
EP-0207202-A1 Anti-tumor platinum complexes Kidani, Yoshinori (JP) 1987-01-07 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-10988434-B2 Fragrance mixture MEP1B, ACMSD, TRPA1 PDE4A 2359/4885ALDH1A1 631/4885TSHR 3395/4885
US-20110135618-A1 METHODS OF TREATING CANCER WITH DOXAZOLIDINE AND PRODRUGS THEREOF DNPEP, PEPD, PREP PDE4A 149/4885ALDH1A1 427/4885TSHR 3888/4885

“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.