SCHEMBL4745526

SCHEMBL4745526

CCCNCCNCCNCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ADH1B P00325 3/20 0.44
ADH1A P07327 3/20 0.44
ADH7 P40394 3/20 0.44
PAOX Q6QHF9 1/20 0.43
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA1 P00915 2/20 0.38
TP53 P04637 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
ALOX15 P16050 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL6934656 1.00 TSHR (0.50) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL1003894 1.00 TSHR (0.50) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL17626634 0.95 TSHR (0.53) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL15445 0.95
Bromide SCHEMBL6657855 0.92 TSHR (0.44) TSHRALDH1A1ADH1BADH1AADH7
Bromide SCHEMBL3468246 0.91
SCHEMBL7184374 0.91
SCHEMBL21176007 0.91
Propane SCHEMBL20526066 0.91 TSHR (0.50) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL6910828 0.91 TSHR (0.50) TSHRALDH1A1ADH1BADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959208-B1 CYCLEN BASED COMPOUNDS, COORDINATION COMPOUNDS, PEPTIDES, PHARMACEUTICAL PREPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2023-07-05 EP disclosed
EP-3611169-B1 NEW GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2021-07-21 EP disclosed
EP-3269395-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF Massachusetts Institute Of Technology (US) 2018-01-17 EP disclosed
WO-2017144376-A1 ALKYLENE OXIDE- AND HYDROCARBYL-SUBSTITUTED POLYCARBOXYLIC ACID OF QUATERNIZED NITROGEN COMPOUNDS AS FRICTION-REDUCING ADDITIVE FOR FUELS BASF SE (DE) 2017-08-31 WO disclosed
US-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-20 US disclosed
US-20170128572-A1 LONG-LIVED GADOLINIUM BASED TUMOR TARGETED IMAGING AND THERAPY AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-05-11 US disclosed
US-9556110-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-31 US disclosed
EP-2691772-B1 LIGAND FUNCTIONAL SUBSTRATES 3M INNOVATIVE PROPERTIES CO (US) 2016-06-08 EP disclosed
US-20160152662-A1 LIGAND FUNCTIONAL SUBSTRATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-06-02 US disclosed
US-9272246-B2 Ligand functional substrates 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-01 US disclosed
US-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-30 US disclosed
WO-2008130721-A1 PREPARATION OF SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-10-30 WO disclosed
WO-2008112636-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-09-18 WO disclosed
US-5914072-A DISPERSANTS FOR SOLIDS; FOR USE IN PAINTS, INKS BASF AKTIENGESELLSCHAFT (DE) 1999-06-22 US disclosed
US-5863879-A POLYMER IS FORMED BY REACTING A POLYMER CONTAINING VINYLAMINE UNIT WITH COMPOUNDS CONTAINING ALDEHYDE OR KETO GROUPS AND OPTIONAL OTHER AMINE OR ALOCHOL CONTAINING COMPOUNDS SUCH AS AMINAL, HEMIAMINAL OR AMINAL ACETATE BASF AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
EP-0756618-B1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AG (DE) 1998-08-12 EP disclosed
EP-0759440-A2 Phosphoric acid esters BASF AKTIENGESELLSCHAFT (DE) 1997-02-26 EP disclosed
EP-0756618-A1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-02-05 EP disclosed
WO-1995029221-A1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1995-11-02 WO disclosed
US-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 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 (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-20170128572-A1 LONG-LIVED GADOLINIUM BASED TUMOR TARGETED IMAGING AND THERAPY AGENTS H1-3, H1-2, H1-4 TSHR 609/4885ALDH1A1 3398/4885ADH1B 3215/4885
US-20160152662-A1 LIGAND FUNCTIONAL SUBSTRATES PCNA, POLM, POLL TSHR 4365/4885ALDH1A1 4565/4885ADH1B 4833/4885
US-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT TSHR 4458/4885ALDH1A1 568/4885ADH1B 578/4885
US-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT TSHR 4458/4885ALDH1A1 568/4885ADH1B 578/4885

“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.