SCHEMBL649600

SCHEMBL649600

CCCCCCOC(=O)C(C)(C)Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 4/20 0.49
ALDH1A1 P00352 2/20 0.49
FAAH O00519 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ESR1 P03372 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL28919926 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL3645547 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL18018655 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL650595 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL652686 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL652601 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL19865613 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL11457160 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL29229177 0.96 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL29229150 0.96 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978906-A Water-soluble quantum dot and preparation method thereof 杭州美联医学股份有限公司 2024-11-19 CN disclosed
EP-3253371-B1 NANOEMULSIONS UNIV LIVERPOOL (GB) 2021-04-28 EP disclosed
US-10463618-B2 Nanoemulsions THE UNIVERSITY OF LIVERPOOL (GB) 2019-11-05 US disclosed
US-20180021261-A1 Nanoemulsions THE UNIVERSITY OF LIVERPOOL (GB) 2018-01-25 US disclosed
US-20180021261-A1 Nanoemulsions THE UNIVERSITY OF LIVERPOOL (GB) 2018-01-25 US disclosed
US-20180021261-A1 Nanoemulsions THE UNIVERSITY OF LIVERPOOL (GB) 2018-01-25 US disclosed
WO-2016124925-A1 NANOEMULSIONS THE UNIVERSITY OF LIVERPOOL (GB) 2016-08-11 WO disclosed
US-8119710-B2 Filled rubber compounds with improved processability BASF SE (DE) 2012-02-21 US disclosed
US-20100317778-A1 Filled Rubber Compounds with Improved Processability CIBA CORPORATION 2010-12-16 US disclosed
US-20090087399-A1 POLYSILOXANE BLOCK COPOLYMERS EVONIK DEGUSSA GMBH (DE) 2009-04-02 US disclosed
US-20090087399-A1 POLYSILOXANE BLOCK COPOLYMERS EVONIK DEGUSSA GMBH (DE) 2009-04-02 US disclosed
EP-1928888-A1 FILLED RUBBER COMPOUNDS WITH IMPROVED PROCESSABILITY Ciba Holding Inc. (CH) 2008-06-11 EP disclosed
WO-2007039416-A1 FILLED RUBBER COMPOUNDS WITH IMPROVED PROCESSABILITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-12 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 (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-20100317778-A1 Filled Rubber Compounds with Improved Processability RER1, RIF1, REV1 NAAA 1369/4885EPHX1 183/4885TSHR 4186/4885
US-20180021261-A1 Nanoemulsions POLL, YWHAZ, NAPEPLD NAAA 1683/4885EPHX1 2995/4885TSHR 3715/4885
US-20090087399-A1 POLYSILOXANE BLOCK COPOLYMERS LBR, SCLY, CLTB NAAA 3696/4885EPHX1 3795/4885TSHR 3961/4885
US-10463618-B2 Nanoemulsions POLL, YWHAZ, NAPEPLD NAAA 1683/4885EPHX1 2995/4885TSHR 3715/4885

“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.