SCHEMBL3235111

SCHEMBL3235111

CCCCCCCCCCCCCCC[CH]Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.53
FAAH O00519 3/20 0.48
TRPV1 Q8NER1 1/20 0.48
DNM1 Q05193 3/20 0.47
EP300 Q09472 1/20 0.42
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL809673 1.00
SCHEMBL5385627 1.00 TSHR (0.55) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL29021072 1.00 TSHR (0.55) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL6244976 1.00 TSHR (0.55) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL6236349 1.00 TSHR (0.55) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL959537 1.00
SCHEMBL2587492 1.00 TSHR (0.55) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7555214 1.00 TSHR (0.55) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL6244348 1.00 TSHR (0.55) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL28322949 1.00 TSHR (0.55) TSHRTHRBFAAHTRPV1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117187380-A One-tube APOE genotyping detection kit and detection method thereof 青岛瑞思德医学检验实验室有限公司 2023-12-08 CN disclosed
CN-111141709-A Humidity response supramolecular thin film material composition, supramolecular thin film, preparation method of supramolecular thin film and application of supramolecular thin film 北京大学 2020-05-12 CN disclosed
EP-2249779-A2 COSMETIC COMPOSITION COMPRISING A CATIONIC SURFACTANT COMPOUND, NOVEL COMPOUNDS, USE AS CONDITIONER AND COSMETIC TREATMENT METHOD L'Oréal (FR) 2010-11-17 EP disclosed
EP-2249780-A2 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L'Oréal (FR) 2010-11-17 EP disclosed
WO-2010029267-A1 COSMETIC COMPOSITION CONTAINING QUATERNARY AMMONIUM ESTERS AND THICKENING POLYMERS, AND USE FOR HAIR CONDITIONING L'OREAL (FR) 2010-03-18 WO disclosed
WO-2009101322-A2 COSMETIC COMPOSITION COMPRISING A CATIONIC SURFACTANT COMPOUND, NOVEL COMPOUNDS, USE AS CONDITIONER AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2009-08-20 WO disclosed
WO-2009101323-A2 COSMETIC COMPOSITION IN THE FORM OF AN OIL-IN-WATER EMULSION CONTAINING A CATIONIC SURFACTANT OF THE QUATERNARY AMMONIUM ESTER TYPE DERIVED FROM 2-[2-(DIETHYLAMINO)ETHOXY]ETHANOL L'OREAL (FR) 2009-08-20 WO disclosed
WO-2009101321-A2 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L'OREAL (FR) 2009-08-20 WO disclosed
US-20020173489-A1 COMPOSITIONS CONTAINING A MIXTURE OF PHOSPHOROUS COMPOUNDS AND ALKYLGLYCEROLS MAX-PLANCK-GESSELSCHAFT ZUR FORDERUNG DER WISSENSCHAFTER E.V. (DE) 2002-11-21 US disclosed
US-5916884-A CYTOTOXIC THERAPEUTIC COMPOUND; ANTITUMOR AGENT MAX-PLANCK-GESELLSCHAFT ZUR FOEDERUNG DER WISSENSCHAFTEN (DE) 1999-06-29 US disclosed
EP-0916343-A1 use of alkzl phosphoric acid compounds for the treatment of psoriatic diseases ASTA Medica Aktiengesellschaft (DE) 1999-05-19 EP disclosed
US-5290769-A Applying compositions for skin disorders ASTA PHARMA AKTIENGESELLSCHAFT (DE) 1994-03-01 US disclosed
EP-0248062-B1 MEDICAMENTS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1992-05-06 EP disclosed
EP-0419998-A2 Use of alkylphosphonic acid derivatives for the treatment of psoriasis ASTA Medica Aktiengesellschaft (DE) 1991-04-03 EP disclosed
EP-0248858-B1 NOVEL PHOSPHO-COMPOUNDS AND MEDICAMENTS CONTAINING THESE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1990-02-28 EP disclosed
EP-0248858-A1 NOVEL PHOSPHO-COMPOUNDS AND MEDICAMENTS CONTAINING THESE. MAX PLANCK GESELLSCHAFT (DE) 1987-12-16 EP disclosed
WO-1987003596-A2 NOVEL PHOSPHO-COMPOUNDS AND MEDICAMENTS CONTAINING THESE MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSC (DE) 1987-06-18 WO disclosed
EP-0225608-A2 Medicine Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1987-06-16 EP disclosed
EP-0224925-A2 Phosphorous compounds and medicines containing them Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1987-06-10 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 (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-20020173489-A1 COMPOSITIONS CONTAINING A MIXTURE OF PHOSPHOROUS COMPOUNDS AND ALKYLGLYCEROLS PHOSPHO1, PLCG2, PPIP5K2 TSHR 4720/4885THRB 4839/4885FAAH 455/4885

“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.