SCHEMBL4534104

SCHEMBL4534104

CCCC[CH]N(CCC)CCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
ALDH1A1 P00352 1/20 0.39
DNM1 Q05193 3/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL4537881 0.92 TSHR (0.40) TSHRALDH1A1DNM1THRB
SCHEMBL8746000 0.90 TSHR (0.44) TSHRDNM1LMNATHRB
SCHEMBL3027388 0.89 TSHR (0.39) TSHRALDH1A1DNM1LMNATHRB
SCHEMBL15900023 0.86 DNM1 (0.42) TSHRALDH1A1DNM1THRB
SCHEMBL1448478 0.82 TSHR (0.33) TSHRALDH1A1
SCHEMBL1405684 0.81 TSHR (0.40) TSHRALDH1A1DNM1THRB
SCHEMBL318154 0.80 TSHR (0.41) TSHRALDH1A1DNM1LMNATHRB
SCHEMBL317337 0.79 TSHR (0.44) TSHRDNM1LMNATHRB
SCHEMBL5958083 0.79 TSHR (0.44) TSHRDNM1LMNATHRB
SCHEMBL8321451 0.79 DNM1 (0.46) TSHRDNM1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023276967-A1 OSMOREGULATOR 国立大学法人九州大学 2023-01-05 WO disclosed
US-7563580-B2 Nucleic acid adsorbent; methods for adsorbing, removing, dissociating, and recovering nucleic acids using the same; and method for regenerating the same CHISSO CORPORATION (JP) 2009-07-21 US disclosed
US-20080227969-A1 Nucleic acid adsorbent; methods for adsorbing, removing, dissociating, and recovering nucleic acids using the same; and method for regenerating the same JNC CORPORATION (JP) 2008-09-18 US disclosed
US-7358050-B2 Nucleic acid adsorbent; methods for adsorbing, removing, dissociating, and recovering nucleic acids using the same; and method for regenerating the same CHISSO CORPORATION (JP) 2008-04-15 US disclosed
US-7276600-B2 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN CHENG 2007-10-02 US disclosed
US-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TSAI YEN C 2006-12-28 US disclosed
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN C 2006-12-14 US disclosed
US-20060073499-A1 Nucleic acid adsorbent; methods for adsorbing, removing, dissociating, and recovering nucleic acids using the same; and method for regenerating the same JNC CORPORATION (JP) 2006-04-06 US disclosed
EP-0645368-B1 Process for the purification of tertiary amines from primary and secondary amines BASF AG (DE) 1997-02-05 EP disclosed
US-5481037-A Decontamination of tertiary amines from primary and secondary amines BASF AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
EP-0645368-A1 Process for the purification of tertiary amines from primary and secondary amines BASF Aktiengesellschaft (DE) 1995-03-29 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 (4 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-20080227969-A1 Nucleic acid adsorbent; methods for adsorbing, removing, dissociating, and recovering nucleic acids using the same; and method for regenerating the same DNMT1, NSUN2, DNA2 TSHR 550/4885ALDH1A1 1900/4885DNM1 2166/4885
US-20060073499-A1 Nucleic acid adsorbent; methods for adsorbing, removing, dissociating, and recovering nucleic acids using the same; and method for regenerating the same DNMT1, NSUN2, DNA2 TSHR 550/4885ALDH1A1 1900/4885DNM1 2166/4885
US-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TRPC3, TRPA1, TRPC6 TSHR 2593/4885ALDH1A1 883/4885DNM1 3959/4885
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media CRY2, CACNA1C, CRY1 TSHR 3982/4885ALDH1A1 1066/4885DNM1 2975/4885

“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.