SCHEMBL5360647

SCHEMBL5360647

CC1=C(CBr)C(C)(C)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 1/20 0.39
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
RARA P10276 1/20 0.38
RXRA P19793 1/20 0.38
CYP1A2 P05177 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
HAO1 Q9UJM8 1/20 0.35
TRPA1 O75762 2/20 0.34
ALOX5 P09917 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33

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
SCHEMBL31502587 0.83 ALDH1A1 (0.46) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL3186076 0.82 RARB (0.38) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL19928616 0.80 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL13779270 0.78 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL11794721 0.78 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL4666701 0.78 ALDH1A1 (0.44) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL19227398 0.78 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL1634590 0.78 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL13570117 0.78 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1ACHE
SCHEMBL9328657 0.76 ALDH1A1 (0.38) ALDH1A1GAAMAPTNPSR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240307406-A1 Device for determining the attitude of a carrier, and associated system for assisting with the piloting of a carrier and determination method ADVANCED BIODESIGN (FR) 2024-09-19 US disclosed
EP-4284360-A1 AMINOTHIOLESTER COMPOUND OR DERIVATIVE THEREOF FOR USE AS AN IMMUNOMODULATORY AGENT Advanced Biodesign (FR) 2023-12-06 EP disclosed
EP-4081499-B1 FUNCTIONALISATION OF 1,3-ALPHA-DIENES (II) DSM IP ASSETS BV (NL) 2023-08-09 EP disclosed
US-20220265845-A1 AMINOTHIOLESTER COMPOUNDS AND USES THEREOF ADVANCED BIODESIGN (FR) 2022-08-25 US disclosed
WO-2022162196-A1 AMINOTHIOLESTER COMPOUND OR DERIVATIVE THEREOF FOR USE AS AN IMMUNOMODULATORY AGENT ADVANCED BIODESIGN (FR) 2022-08-04 WO disclosed
EP-4035666-A1 AMINOTHIOLESTER COMPOUND OR DERIVATIVE THEREOF FOR USE AS AN IMMUNOMODULATORY AGENT Advanced Biodesign (FR) 2022-08-03 EP disclosed
EP-3833657-B1 AMINOTHIOLESTER COMPOUNDS AND USES THEREOF ADVANCED BIODESIGN (FR) 2022-07-27 EP disclosed
US-20220175700-A1 VISUAL CYCLE MODULATORS UNIV CASE WESTERN RESERVE (US) 2022-06-09 US disclosed
CN-114341110-A Aminothiol ester compound and use thereof 高级生物设计公司 2022-04-12 CN disclosed
WO-2021130059-A1 FUNCTIONALISATION OF 1,3-ALPHA-DIENES (II) DSM IP ASSETS B.V. (NL) 2021-07-01 WO disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
WO-2015048363-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-02 WO disclosed
US-20070099991-A1 SELECTIVE RXR LIGANDS HAFFNER CURT D 2007-05-03 US disclosed
US-20070099991-A1 SELECTIVE RXR LIGANDS HAFFNER CURT D 2007-05-03 US disclosed
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US disclosed
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US disclosed
US-20040198980-A1 Selective rxr ligands SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1430042-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SmithKline Beecham Corporation (US) 2004-06-23 EP disclosed
WO-2003027090-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO 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 (6 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-20220175700-A1 VISUAL CYCLE MODULATORS ALDH1A2, UACA, NR2E3 ALDH1A1 1392/4885GAA 724/4885MAPT 775/4885
US-20040198980-A1 Selective rxr ligands RXRA, RXRB, RXRG ALDH1A1 2289/4885GAA 2654/4885MAPT 4710/4885
US-20220265845-A1 AMINOTHIOLESTER COMPOUNDS AND USES THEREOF AADAT, DNPEP, AASDHPPT ALDH1A1 690/4885GAA 3255/4885MAPT 19/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG ALDH1A1 1916/4885GAA 2207/4885MAPT 4680/4885
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 ALDH1A1 1564/4885GAA 931/4885MAPT 3742/4885
US-20240307406-A1 Device for determining the attitude of a carrier, and associated system for assisting with the piloting of a carrier and determination method CD274, CD47, PDCD1LG2 ALDH1A1 2593/4885GAA 1341/4885MAPT 2174/4885

“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.