SCHEMBL1042003

SCHEMBL1042003

CCCCCCCC[N+](C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 4/20 0.50
DNM1 Q05193 6/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
SCHEMBL593010 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL9486435 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL1900543 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL5933161 1.00
SCHEMBL5606540 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL9486369 1.00 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL5932738 0.97
SCHEMBL1042256 0.80 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL2698662 0.80 TSHR (0.53) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL7694903 0.76 TSHR (0.57) TSHRTHRBALDH1A1DNM1LMNA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 US claimed
EP-1261731-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS Urtti, Arto (FI) 2002-12-04 EP claimed
WO-2001062946-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS URTTI ARTO (FI) 2001-08-30 WO claimed
EP-0322209-B1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-02-10 EP claimed
US-4954339-A ANTICHOLESTEROL AGENTS, SEQUESTERING SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-04 US claimed
WO-1989005828-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-06-29 WO claimed
EP-0322209-A1 Compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-06-28 EP claimed
US-20210298302-A1 COMPOSITION INCLUDING AN ANTIMICROBIAL BOOSTING AGENT INCLUDING A SULTAINE AND METHODS OF INCREASING THE ANTIMICROBIAL EFFECTIVENESS OF A COMPOSITION KIMBERLY-CLARK WORLDWIDE, INC. (US) 2021-09-30 US disclosed
EP-2980180-A1 PHOTOBASE GENERATOR San-Apro Ltd. (JP) 2016-02-03 EP disclosed
US-20160009737-A1 PHOTOBASE GENERATOR SAN-APRO LTD. (JP) 2016-01-14 US disclosed
EP-2270114-B1 PHOTOBASE GENERATOR SAN APRO LTD (JP) 2014-07-09 EP disclosed
US-8329771-B2 Photobase generator SAN-APRO LIMITED (JP) 2012-12-11 US disclosed
US-7923522-B2 excellent in stability of particle size and to be used for electronic materials; adding a hydrolyzable silane compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-12 US disclosed
EP-0373852-B1 Compounds SMITH KLINE FRENCH LAB (GB) 1994-10-26 EP disclosed
EP-0322209-B1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-02-10 EP disclosed
US-4954339-A ANTICHOLESTEROL AGENTS, SEQUESTERING SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-04 US disclosed
EP-0373852-A2 Compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-06-20 EP disclosed
WO-1989005828-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-06-29 WO disclosed
EP-0322209-A1 Compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-06-28 EP disclosed
US-4208401-A STAIN INHIBITING COLGATE-PALMOLIVE COMPANY (US) 1980-06-17 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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 TSHR 4680/4885THRB 4695/4885ALDH1A1 2344/4885
US-20210298302-A1 COMPOSITION INCLUDING AN ANTIMICROBIAL BOOSTING AGENT INCLUDING A SULTAINE AND METHODS OF INCREASING THE ANTIMICROBIAL EFFECTIVENESS OF A COMPOSITION SULT1A1, MGAM, IFNG TSHR 2861/4885THRB 1113/4885ALDH1A1 1403/4885
US-20160009737-A1 PHOTOBASE GENERATOR PSMC6, ARCN1, CRY1 TSHR 2438/4885THRB 2456/4885ALDH1A1 1529/4885

“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.