SCHEMBL2454730

SCHEMBL2454730

CCCCN(CCOC)CCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.41
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD3 P35462 1/20 0.36
SCN1A P35498 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HTR1D P28221 1/20 0.35
PIK3CD O00329 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1292701 1.00 HTR1B (0.41) HTR1BLMNACYP1A2CHRM2CYP3A4
SCHEMBL12305100 0.95 HTR1B (0.39) HTR1BLMNACYP1A2CHRM2CYP3A4
SCHEMBL18287423 0.93 HTR1B (0.38) HTR1BLMNACYP1A2CHRM2CYP3A4
SCHEMBL18287432 0.93 HTR1B (0.38) HTR1BLMNACYP1A2CHRM2CYP3A4
SCHEMBL24728659 0.90 DNM1 (0.44) KCNH2THRATHRB
SCHEMBL2905536 0.90 DNM1 (0.44) KCNH2THRATHRB
SCHEMBL18030863 0.90 DNM1 (0.44) KCNH2THRATHRB
SCHEMBL12484771 0.90 HTR1B (0.44) HTR1BKCNH2HTR1DCA12CA1
SCHEMBL13050782 0.90 CYP2D6 (0.40) HTR1BLMNACYP1A2CHRM2CYP3A4
SCHEMBL17489308 0.89 TSHR (0.37) HTR1BLMNACYP1A2CHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152692-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20220004101-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-06 US disclosed
EP-3904331-A1 NANOPARTICLE, CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING COMPRISING SAME AND ZWITTERIONIC LIGAND COMPOUND Astellas Pharma Inc. (JP) 2021-11-03 EP disclosed
EP-2371831-B1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO (JP) 2016-09-07 EP disclosed
EP-2979687-A1 ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, METHOD FOR FORMING ARTIFICIAL NAIL, AND NAIL ART KIT FUJIFILM Corporation (JP) 2016-02-03 EP disclosed
US-20150352032-A1 ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, METHOD FOR FORMING ARTIFICIAL NAIL, AND NAIL ART KIT FUJIFILM CORPORATION (JP) 2015-12-10 US disclosed
US-9133098-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2015-09-15 US disclosed
US-9133098-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2015-09-15 US disclosed
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. (JP) 2015-01-22 US disclosed
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. (JP) 2015-01-22 US disclosed
US-8871970-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2014-10-28 US disclosed
US-8871970-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2014-10-28 US disclosed
WO-2011152485-A1 NOVEL 4,5-FUSED PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-12-08 WO disclosed
EP-2371831-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND Nippon Soda Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. 2011-09-15 US disclosed
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. 2011-09-15 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-20150352032-A1 ARTIFICIAL NAIL COMPOSITION, ARTIFICIAL NAIL, METHOD FOR FORMING ARTIFICIAL NAIL, AND NAIL ART KIT NACA, PIK3C3, POLR1C HTR1B 3703/4885LMNA 3617/4885CYP1A2 4596/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 HTR1B 3934/4885LMNA 834/4885CYP1A2 1919/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 HTR1B 3934/4885LMNA 834/4885CYP1A2 1919/4885

“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.